![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2- [(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI) Featured duab](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2- [(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 397.43 ib | - |
| Boiling Point (Predicted) | 671.5 ± 55.0 ° C | Xov: 760 Torr |
| Ceev (Predicted) | 1.316 ± 0.06 g / cm3 | Kub: 20 ° C;Xov: 760 Torr |
| pKa (Predicted) | 3.84 ± 0.21 | Feem ntau acidic kub: 25 ° C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCNC(=O)N
Isomeric SMILES C(OC(N[C@@H](CCNC(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, 5,10-12H2,(H,24,28)(H,25, 26) (H3,22,23,27)/t18-/m0/s1
InChI Key
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Lwm Lub Npe rau Cov Khoom no
N5- (Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine (ACI);(2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino) pentanoic acid;(2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino) pentanoic acid;218: PN: U S20070042401 PAGE: 29 thov cov protein;909: PN: WO2006135786 PAGE: 59 thov cov protein;Fmoc-L-Citrulline
Spectra muaj
1 H NMR
13 C NMR
Pawg
| Cov khoom muaj |
| Tshuaj lom neeg |
| Tshuaj |
| Qhov ntom |
| Lipinski |
| Cov qauv ntsig txog |
| Kub |
Tshuaj lom neeg
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 54.3 ib | pH 1;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 52.8 ib | pH 2;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 40.0 Nws | pH 3;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 11.7 ib | pH 4;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.45 Nws | pH 5;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10;Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tshuaj
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 606 | pH 1;Kub: 25 ° C | (1) ACD |
| Koc | 589 ua | pH 2;Kub: 25 ° C | (1) ACD |
| Koc | 446 ib | pH 3;Kub: 25 ° C | (1) ACD |
| Koc | 130 | pH 4;Kub: 25 ° C | (1) ACD |
| Koc | 16.2 | pH 5;Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 1.76 ib | pH 6;Kub: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 7;Kub: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 8;Kub: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 9;Kub: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 10;Kub: 25 ° C | (1) ACD |
| logD | 2.59 ib | pH 1;Kub: 25 ° C | (1) ACD |
| logD | 2.57 ib | pH 2;Kub: 25 ° C | (1) ACD |
| logD | 2.45 Nws | pH 3;Kub: 25 ° C | (1) ACD |
| logD | 1.92 ib | pH 4;Kub: 25 ° C | (1) ACD |
| logD | 1.01 Nws | pH 5;Kub: 25 ° C | (1) ACD |
| logD | 0.05 Nws | pH 6;Kub: 25 ° C | (1) ACD |
| logD | -0.76 | pH 7;Kub: 25 ° C | (1) ACD |
| logD | -1.10 | pH 8;Kub: 25 ° C | (1) ACD |
| logD | -1.15 | pH 9;Kub: 25 ° C | (1) ACD |
| logD | -1.16 | pH 10;Kub: 25 ° C | (1) ACD |
| logP | 2.591 ± 0.426 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 4.8 x 10-3 g/L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 4.8 x 10-3 g/L | pH 1;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.2 x 10-3 g / L | pH 2;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 6.8 x 10-3 g / L | pH 3;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.023 g / L | pH 4;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.18 g / L | pH 5;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.7 g / L | pH 6;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 11 g / L | pH 7;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 23 g / L | pH 8;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 27 g/l os | pH 9;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 27 g/l os | pH 10;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.032 g / L | Unbuffered Dej pH 4.18;Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 1.2 x 10-5 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.2 x 10-5 mol / L | pH 1;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 mol / L | pH 2;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-5 mol / L | pH 3;Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Molar Solubility | 5.7 x 10-5 mol / L | pH 4;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 4.6 x 10-4 mol / L | pH 5;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 4.2 x 10-3 mol / L | pH 6;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 0.027 mol / L | pH 7;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 0.059 mol / L | pH 8;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 0.067 mol / L | pH 9;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 0.068 mol / L | pH 10;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 8.0 x 10-5 mol / L | Unbuffered Dej pH 4.18;Kub: 25 ° C | (1) ACD |
| Molecular Luj | 397.43 ib | ||
| pKa | 3.84 ± 0.21 | Feem ntau acidic kub: 25 ° C | (1) ACD |
| pKa | 0.21 ± 0.70 hli | Qhov kub thiab txias tshaj plaws: 25 ° C | (1) ACD |
| Vapor Siab | 6.01 x 10-19 Torr | Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qhov ntom
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Qhov ntom | 1.316 ± 0.06 g / cm3 | Kub: 20 ° C;Xov: 760 Torr | (1) ACD |
| Molar Volume | 301.8 ± 3.0 cm3 / mol | Kub: 20 ° C;Xov: 760 Torr | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Dawb Rotatable Bonds | 9 | (1) ACD | |
| H Txais | 8 | (1) ACD | |
| H Pub | 5 | (1) ACD | |
| H Pub/Acceptor Sum | 13 | (1) ACD | |
| logP | 2.591 ± 0.426 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 397.43 ib |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cov qauv ntsig txog
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Polar Surface Area | 131 A2 | (1) ACD | |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kub
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Boiling Point | 671.5 ± 55.0 ° C | Xov: 760 Torr | (1) ACD |
| Enthalpy ntawm Vaporization | 103.64 ± 3.0 kJ/mol | Xov: 760 Torr | (1) ACD |
| Flash Point | 359.9 ± 31.5 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra muaj
1 H NMR
13 C NMR
Regulatory List: IECSC, TCSI, VNECI Cov Ntaub Ntawv Qhia Txog Kev Lag Luam: Public
| Regulatory Synonyms | ||
| Fmoc-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
| L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TSI, VNECI | - |
Paub meej los ntawm Lub Tebchaws / Thoob Ntiaj Teb & Lwm Cov Npe Lub Tebchaws / Cheeb Tsam Cov Ntaub Ntawv Muaj
Suav Summary
Inventory Status ntawm IECSC
Cov Khoom Muag Khoom Siv Tshuaj Hauv Suav Teb Cov Npe: Fmoc-L-2-amino-5-ureido-n-valeric acid
Taiwan Summary
Cov Ntaub Ntawv Cov Ntaub Ntawv ntawm TCSI Taiwan Government Gazette
Viet Nam Summary
Inventory Status ntawm VNECI
Vietnam Draft National Chemical Inventory
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