![C33H39N5O6 L-Ornithinamidum, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-(9Cl, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornithinamidum, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-(9CI, ACI) Imago Praecipua](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamidum, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-(9Cl, ACI)
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 601.69 | - |
| Punctum Ebullitionis (Praedictum) | 914.2±65.0°C | Prelum: 760 Torr |
| Densitas (Praedicta) | 1.276±0.06 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 10.63±0.46 | Temperatura Acida Maxima: 25°C |
SMILES Canonicae O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)NC(C(=O)NC4=CC=C(C=C4)CO)CCCNC(=O)N)C(C)C
SMILES Isomerica C(OC(N[C@H](C(N[C@H](C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O)=O)[C@H](C)C)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11-26(24)27)31(41)37-28(12-7-17-35- 32(34)42)30(40)36-22-15-13-21(18-39)14-16-22/h3-6,8-11,13-16,20,27-29,39H,7,12,17-19H2,1-2H3,(H,36,40)(H,37,41)(H,38,43)(H3,34,3
5,42)/t28-,29-/m₀/s₁
Clavis InChI
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Aliud Nomen pro hac Substantia
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamidum (ACI)
Spectra praesto sunt
1H NMR
13C NMR
| Proprietates praesto |
| Biologicus |
| Chemica |
| Densitas |
| Lipinski |
| Structurae Relata |
| Thermalis |
Biologicus
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | DCCCIX | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 912 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 923 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 924 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 924 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 924 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 924 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 922 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 903 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | DCCCL | 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 | 4040 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 4550 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 4610 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 4620 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 4620 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 4620 | pH 6; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Koc | 4620 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 4610 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 4510 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 3740 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 4.15 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 4.20 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 4.20 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 4.20 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 4.21 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 4.21 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 4.20 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 4.20 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 4.19 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 4.11 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 4.206±0.767 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 1.7 × 10⁻⁴ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.0 × 10⁻⁴ g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 × 10⁻⁴ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 × 10⁻⁴ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 × 10⁻⁴ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 × 10⁻⁴ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 × 10⁻⁴ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 × 10⁻⁴ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 × 10⁻⁴ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 × 10⁻⁴ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.1 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 × 10⁻⁴ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 2.9 × 10⁻⁷ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.3 × 10⁻⁷ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁷ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁷ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁷ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 2.9 × 10⁻⁷ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁷ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁷ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁷ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁷ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.5 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁷ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 601.69 | ||
| pKa | 10.63±0.46 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 0.13±0.50 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
| Pressio Vaporis | 0 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 | 1.276±0.06 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 471.2±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 | 15 | (1) ACD | |
| Acceptores H | 11 | (1) ACD | |
| Donatores H | 7 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 18 | (1) ACD | |
| logP | 4.206±0.767 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 601.69 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Area Superficialis Polaris | 172 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 | 914.2±65.0°C | Prelum: 760 Torr | (1) ACD |
| Enthalpia Vaporizationis | 139.25±3.0 kJ/mol | Prelum: 760 Torr | (1) ACD |
| Punctum Inflammationis | 506.7±34.3°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
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