![L-Ornithinamidum, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-(9Cl, ACI) H335, H319, H315, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![L-Ornithinamidum, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-(9CI, ACI) H335, H319, H315, H302. Imago Praecipua.](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamidum, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-(9Cl, ACI) H335, H319, H315, H302
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 379.45 | - |
| Punctum Ebullitionis (Praedictum) | 715.0±60.0°C | Prelum: 760 Torr |
| Densitas (Praedicta) | 1.243±0.06 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 13.75±0.46 | Temperatura Acida Maxima: 25°C |
SMILES Canonica O=C(N)NCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
SMILES Isomerica [C@@H](NC([C@H](C(C)C)N)=O)(C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O
InChI
InChI=1S/C18H29N5O4/c1-11(2)15(19)17(26)23-14(4-3-9-21-18(20)27)16(25)22-13-7-5-12(10-24)6-8-13/h5-8,11,14-15,24H,3-4,9-10,19 H2,22,25(H,23,26)(H3,20,21,27)/t14-,15-/m0/s1
Clavis InChI
VEGGTWZUZGZKHY-GJZGRUSLSA-N
Quattuor Alia Nomina Huius Substantiae
L-Valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamidum (ACI); 1: PN: WO2023061224 PAGINA: 34 sequentia vindicata; Valinum-Citrullinum-pAminobenzylcarbamatum; Vc-PAB
| Proprietates praesto |
| Biologicus |
| Chemica |
| Densitas |
| Lipinski |
| Structurae Relata |
| Thermalis |
Biologicus
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 1.0 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chemica
| Possessio | Valor | Conditio | Fons |
| Koc | 1.0 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | sex.00 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 13.2 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 15.0 | pH 10; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| logD | -3.53 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | -3.46 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | -3.45 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | -3.42 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | -3.20 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | -2.50 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | -1.57 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | -0.76 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | -0.42 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | -0.36 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | -0.354±0.602 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 1.6 g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1000 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1000 g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1000 g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1000 g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1000 g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 220 g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 26 g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.2 g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.9 g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.6 g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.6 g/L | Aqua non tamponata pH 9.89; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 4.2 × 10⁻³ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.64 mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.64 mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.64 mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.64 mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.64 mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.59 mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.069 mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.011 mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 4.9 × 10⁻³ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.3 × 10⁻³ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.3 × 10⁻³ mol/L | Aqua non tamponata pH 9.89; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 379.45 | ||
| pKa | 13.75±0.46 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 8.19±0.33 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
| Pressio Vaporis | 1.86 × 10-21 Torr | Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Densitas
| Possessio | Valor | Conditio | Fons |
| Densitas | 1.243±0.06 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 305.2±3.0 cm³/mol | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 12 | (1) ACD | |
| Acceptores H | 9 | (1) ACD | |
| Donatores H | 8 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 17 | (1) ACD | |
| logP | -0.354±0.602 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 379.45 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Area Superficialis Polaris | 160 A2 | (1) ACD | |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermalis
| Possessio | Valor | Conditio | Fons |
| Punctum Ebullitionis | 715.0±60.0°C | Prelum: 760 Torr | (1) ACD |
| Enthalpia Vaporizationis | 109.72±3.0 kJ/mol | Prelum: 760 Torr | (1) ACD |
| Punctum Inflammationis | 386.2±32.9°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
| Codex | Declaratio Periculi | Fons |
| H335 | Irritationem respirationis potest causare | Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes gravissimae |
| H319 | Gravem irritationem oculorum efficit | Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes gravissimae |
| H315 | Irritationem cutis efficit | Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes gravissimae |
| H302 | Nocivum si deglutitur | Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes gravissimae |
Nuntium tuum hic scribe et nobis mitte.
![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-onum, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-, (2R,3R,3aS,9aR)- (9Cl, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)
![C30H29FN2O7 Uridinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro- (9Cl, ACI)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine-300x300.jpg)
![C20H31NO5 Acidum heptanoicum, 3-hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9Cl) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C36H39N5O8 Guanosinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)-(9Cl, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C43H55N4O10P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)