![C21H23N3O5 L-Ornithinum, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- (9Cl, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-Ornithinum, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- (9CI, ACI) Imago Praecipua](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornithinum, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- (9Cl, ACI)
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 397.43 | - |
| Punctum Ebullitionis (Praedictum) | 671.5±55.0°C | Prelum: 760 Torr |
| Densitas (Praedicta) | 1.316±0.06 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 3.84±0.21 | Temperatura Acida Maxima: 25°C |
SMILES Canonica O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
SMILES Isomerica C(OC(N[C@@H](CCCNC(N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2
InChI
InChI=1S/C21H23N3O5/c22-20(27)23-11-5-10-18(19(25)26)24-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H;
Clavis InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
Sex Alia Nomina Huius Substantiae
N5-(Aminocarbonyl)-N2-[(9H(2S)-5-(Carbamoylamino)-2-(9 -fluoren-9-ylmethoxy)carbonyl]-L-ornithinum (ACI);HAcidum fluoren-9-ylmetoxycarbonylamino)pentanoicum; (2S)-5-(Carbamoylamino)-2-([[(9HAcidum -fluoren-9-yl)methoxy]carbonyl]amino)pentanoicum; 218: PN: U S20070042401 PAGINA: 29 proteinum vindicatum; 909: PN: WO2006135786 PAGINA: 59 proteinum vindicatum; Fmoc-L-Citrullinum
Spectra praesto sunt
1H NMR
13C NMR
Missa
| Proprietates praesto |
| Biologicus |
| Chemica |
| Densitas |
| Lipinski |
| Structurae Relata |
| Thermalis |
Biologicus
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 54.3 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 52.8 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 40.0 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 11.7 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.45 | 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 | DCVI | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 589 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 446 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 130 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 16.2 | pH 5; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Koc | 1.76 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 2.59 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 2.57 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 2.45 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 1.92 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 1.01 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 0.05 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | -0.76 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | -1.10 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | -1.15 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | -1.16 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 2.591±0.426 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 4.8 × 10⁻³ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.8 × 10⁻³ g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.2 × 10⁻³ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 6.8 × 10⁻³ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.023 g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.18 g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 11 g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 23 g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 27 g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 27 g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.032 g/L | Aqua non tamponata pH 4.18; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 1.2 × 10⁻⁵ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.2 × 10⁻⁵ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.3 × 10⁻⁵ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.7 × 10⁻⁵ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 5.7 × 10⁻⁵ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.6 × 10⁻⁴ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.2 × 10⁻³ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.027 mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.059 mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.067 mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.068 mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 8.0 × 10⁻⁵ mol/L | Aqua non tamponata pH 4.18; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 397.43 | ||
| pKa | 3.84±0.21 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | -0.21±0.70 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
| Pressio Vaporis | 6.01 × 10-19 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 | 1.316±0.06 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 301.8±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 | 9 | (1) ACD | |
| Acceptores H | 8 | (1) ACD | |
| Donatores H | 5 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 13 | (1) ACD | |
| logP | 2.591±0.426 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 397.43 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Area Superficialis Polaris | 131 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 | 671.5±55.0°C | Prelum: 760 Torr | (1) ACD |
| Enthalpia Vaporizationis | 103.64±3.0 kJ/mol | Prelum: 760 Torr | (1) ACD |
| Punctum Inflammationis | 359.9±31.5°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
Index Regulationum: IECSC, TCSI, VNECI; Informationes Negotiales Secretae: Publicae
| Synonyma Regulatoria | ||
| Acidum Fmoc-L-2-amino-5-ureido-n-valericum | IECSC | - |
| L-Ornithinum, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Singula per Nationem/Internationalem et Alia Indices Informationes Nationis/Regionis Praesto
Summarium Sinarum
Status Inventarii in IECSC
Inventarium Substantiarum Chemicarum Existentium in Sinis Nomina Enumerata: Acidum Fmoc-L-2-amino-5-ureido-n-valericum
Summarium Taiwanense
Status Inventarii in Acta Diurna Gubernationis Taiwanensis TCSI
Summarium Vietnamiae
Status Inventarii in VNECI
Inventarium Chemicum Nationale Vietnamense
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