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C21H23N3O5 L-Ornithine, N5- (Aminocarbonyl) -n2 - [(9h-fluoren-IX-ylmethoxy) carbonyl] - (9ci, aci)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 397,43 | - |
| Ferveret (praedicta) | 671.5 ± 55.0 ° C | Press: DCCLX Torr |
| Density (praedicta) | 1.316 ± 0.06 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 3.84 ± 0.21 | Most Acidic Temp: XXV ° C |
Canonica risum ridet o = c (oCC01c = CC = cc2c = 3C = cc = cc31) NC (C (= o) o) ccccn (= o) n
Isomerici risum dat C (O (N [c @@ h] (ccccn (n) = o) c1c (= cc2 = cc2 = cc2) = c
INCHI
Inchi = 1s / C21H23N3O5 / C22-20 (XXVII) 23-11-5-10-18 (XIX (XXV) XXVI) 24-21 (XXVIII) 29-12-17-15-8-3-1-6-13 (XV) 14-7-2-4-9-16 (XIV, (H1-4,6-9-16 (XIV, 5,10-12H2, (h, 24,28), (II, 25.26) (H3,22,23,27) / T18- / M0 / S1
Key Inchi
Nbmsmzsrtoofok, sfhvurjsa, n
VI aliis nominibus pro hac substantia
N5 (aminocarbonyl) -NII - [IXH-fluoren-IX-ylmethoxy) carbonyl] -l-Ornithine (aci); (2s) -5- (Carbamoylamino) -2- (IXH-fluoren-IX-ylmethox ycarbonylamino) Pentanoic acidum; (2s) -5- (Carbamoylamino) -2 - ([[(IXH-fluoren-IX-YL) METHoxy] carbonyl] amino) Pentanoic acidum; CCXVIII: PN: U S20070042401 Page: XXIX petita dapibus; CMIX: PN: Wo2006135786 Page: LIX petita interdum; Fmoc-l-Citrullinum
Spectra praesto
1h NMR
13c NMR
Missa
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
| Scelerum |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | 54.3 | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 52.8 | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 40.0 | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 11,7 | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.45 | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | DCVI | PH I; Temp: XXV ° C | (I) ACD |
| Koc | DLXXXIX | PH II; Temp: XXV ° C | (I) ACD |
| Koc | CDXLVI | PH III; Temp: XXV ° C | (I) ACD |
| Koc | CXXX | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | 16,2 | PH V; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Koc | 1.76 | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH X; Temp: XXV ° C | (I) ACD |
| logd | 2.59 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 2.57 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 2,45 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 1.92 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 1.01 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 0,05 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | -0.76 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | -1.10 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | -1.15 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | -1.16 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 2.591 ± 0.426 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 10-3 10-3 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-3 10-3 g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.2 x 10-3 g / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 6.8 X 10-3 g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.023 g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.18 g / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 1.7 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | XI g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | XXIII g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | XXVII g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | XXVII g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.032 G / l | Unbuffered aqua PH 4,18; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 10-5 Mol X 10-2 / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-5 Mol X 10-2 / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-5 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-5 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | 5.7 X 10-5 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.6 x 10-4 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-3 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.027 mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.059 MOL / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.067 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.068 MOL / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 8.0 X 10-5 Mol / l | Unbuffered aqua PH 4,18; Temp: XXV ° C | (I) ACD |
| Pondus | 397,43 | ||
| PKA | 3.84 ± 0.21 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | -0.21 ± 0.70 | Maxime basic temp: XXV ° | (I) ACD |
| Vapor | 6.01 X 10-19 Torr | Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.316 ± 0.06 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 301.8 ± 3.0 cm3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 9 | (I) ACD | |
| H acceptors | 8 | (I) ACD | |
| H donos | 5 | (I) ACD | |
| H donator / Acceptor Sum | 13 | (I) ACD | |
| logp | 2.591 ± 0.426 | Temp: XXV ° C | (I) ACD |
| Pondus | 397,43 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CXXXI A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Scelerum
| Res | Valor | Conditio | Fons |
| PRAETERITUS | 671.5 ± 55.0 ° C | Press: DCCLX Torr | (I) ACD |
| Enthalpy vaporation | 103,64 ± 3.0 KJ / mol | Press: DCCLX Torr | (I) ACD |
| Flash Point | 359.9 ± 31.5 ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
List Regulatory: Iecsc, TCSI, Vneci Secretum Business Information: Public
| Regulatory synonyms | ||
| FMOC-L-II-Amino-V, Ureido-N-Valeric Acidum | Iecsc | - |
| L-Ornithine, N5- (Aminocarbonyl) -n2 - [(9h-fluoren-IX-ylmethoxy) Carbonyl] - | TCSI, Vneci | - |
Details per patriam / International & Alii Lists patriae / Regio Information Available
Sinis summary
Inventarium Status in Iecsc
Inventarium existentium eget substantiae in Sina enumerantur nomen (s) Fmoc-l-II-amino-V-Ureido-n-Valeric acidum
Taiwan summary
Inventarium Status in TCSI Taiwan Government Gazette
Viet Nam Summary
Inventarium Status in Vneci
Vietnam Draft National Chemical Inventory
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