![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) na itinampok na imahe](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-ornithine, N5- (Aminocarbonyl) -N2-[(9H-Fluoren-9-ylmethoxy) Carbonyl]-(9ci, ACI)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 397.43 | - |
| Boiling point (hinulaang) | 671.5 ± 55.0 ° C. | Pindutin: 760 Torr |
| Density (hinulaang) | 1.316 ± 0.06 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 3.84 ± 0.21 | Karamihan sa acidic temp: 25 ° C. |
Canonical Smiles O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) NC (C (= O) O) CCCNC (= O) n
Isomeric Smiles 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, 5,10-12H2, (H, 24,28) (H, 25,26) (H3,22,23,27)/T18-/M0/S1
Inchi key
Nbmsmzsrtiofok-sfhvurjksa-n
6 Iba pang mga pangalan para sa sangkap na ito
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 Pahina: 29 Inangkin ang Protein; 909: PN: WO2006135786 Pahina: 59 Inangkin ang protina; FMOC-L-CITRULLINE
Magagamit ang spectra
1h nmr
13c nmr
Mass
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
| Thermal |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 54.3 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 52.8 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 40.0 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 11.7 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.45 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Kemikal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 606 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 589 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 446 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 130 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 16.2 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 1.76 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 1.0 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 1.0 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 1.0 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 2.59 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 2.57 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 2.45 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 1.92 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 1.01 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 0.05 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.76 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | -1.10 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | -1.15 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.16 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 2.591 ± 0.426 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 4.8 x 10-3 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.8 x 10-3 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.2 x 10-3 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 6.8 x 10-3 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.023 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.18 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 11 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 23 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 27 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 27 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.032 g/l | Hindi nabuong tubig pH 4.18; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 1.2 x 10-5 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.2 x 10-5 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.3 x 10-5 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.7 x 10-5 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 5.7 x 10-5 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.6 x 10-4 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.2 x 10-3 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.027 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.059 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.067 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.068 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.0 x 10-5 mol/l | Hindi nabuong tubig pH 4.18; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 397.43 | ||
| PKA | 3.84 ± 0.21 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | -0.21 ± 0.70 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
| Presyon ng singaw | 6.01 x 10-19 Torr | Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Density
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Density | 1.316 ± 0.06 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 301.8 ± 3.0 cm3/mol | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 9 | (1) ACD | |
| H Mga Tanggap | 8 | (1) ACD | |
| H donor | 5 | (1) ACD | |
| H Donor/Acceptor Sum | 13 | (1) ACD | |
| Logp | 2.591 ± 0.426 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 397.43 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
May kaugnayan sa istraktura
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Polar Surface Area | 131 A2 | (1) ACD | |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Boiling point | 671.5 ± 55.0 ° C. | Pindutin: 760 Torr | (1) ACD |
| Enthalpy ng singaw | 103.64 ± 3.0 kJ/mol | Pindutin: 760 Torr | (1) ACD |
| Flash point | 359.9 ± 31.5 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Magagamit ang spectra
1h nmr
13c nmr
Listahan ng Regulasyon: IECSC, TCSI, VNECI Confidential Business Impormasyon: Publiko
| Mga kasingkahulugan ng regulasyon | ||
| FMOC-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
| L-ornithine, N5- (Aminocarbonyl) -N2-[(9H-Fluoren-9-ylmethoxy) Carbonyl]- | TcSi, vneci | - |
Mga detalye ng bansa/internasyonal at iba pang mga listahan ng impormasyon sa bansa/rehiyon na magagamit
Buod ng China
Katayuan ng imbentaryo sa IECSC
Imbentaryo ng umiiral na mga kemikal na sangkap sa China na nakalista ng (mga) pangalan: FMOC-L-2-amino-5-ureido-n-valeric acid
Buod ng Taiwan
Katayuan ng imbentaryo sa TCSI Taiwan Government Gazette
Buod ng Viet Nam
Katayuan ng imbentaryo sa VNECI
Vietnam Draft National Chemical Inventory
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