![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) Itinatampok na Larawan](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
| Pangunahing Pisikal na Katangian | Halaga | Kundisyon |
| Molekular na Timbang | 397.43 | - |
| Boiling Point (Hulaan) | 671.5±55.0 °C | Pindutin ang: 760 Torr |
| Densidad (Hula) | 1.316±0.06 g/cm3 | Temp: 20 °C;Pindutin ang: 760 Torr |
| pKa (Hula) | 3.84±0.21 | Pinakamaasim na 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
Susi ng InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Iba pang Pangalan para sa Substansyang 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 PAGE: 29 inaangkin na protina;909: PN: WO2006135786 PAGE: 59 inaangkin na protina;Fmoc-L-Citrulline
Available ang spectra
1H NMR
13C NMR
Ang misa
| Available ang mga property |
| Biyolohikal |
| Kemikal |
| Densidad |
| Lipinski |
| Kaugnay na Istruktura |
| Thermal |
Biyolohikal
| Ari-arian | Halaga | Kundisyon | Pinagmulan |
| Salik ng Bioconcentration | 54.3 | pH 1;Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 52.8 | pH 2;Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 40.0 | pH 3;Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 11.7 | pH 4;Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.45 | pH 5;Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 6;Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 7;Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 8;Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 9;Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 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 |
| Sinabi ni Koc | 606 | pH 1;Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 589 | pH 2;Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 446 | pH 3;Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 130 | pH 4;Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 16.2 | pH 5;Temp: 25 °C | (1) ACD |
| Ari-arian | Halaga | Kundisyon | Pinagmulan |
| Sinabi ni Koc | 1.76 | pH 6;Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 1.0 | pH 7;Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 1.0 | pH 8;Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 1.0 | pH 9;Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 1.0 | pH 10;Temp: 25 °C | (1) ACD |
| talaD | 2.59 | pH 1;Temp: 25 °C | (1) ACD |
| talaD | 2.57 | pH 2;Temp: 25 °C | (1) ACD |
| talaD | 2.45 | pH 3;Temp: 25 °C | (1) ACD |
| talaD | 1.92 | pH 4;Temp: 25 °C | (1) ACD |
| talaD | 1.01 | pH 5;Temp: 25 °C | (1) ACD |
| talaD | 0.05 | pH 6;Temp: 25 °C | (1) ACD |
| talaD | -0.76 | pH 7;Temp: 25 °C | (1) ACD |
| talaD | -1.10 | pH 8;Temp: 25 °C | (1) ACD |
| talaD | -1.15 | pH 9;Temp: 25 °C | (1) ACD |
| talaD | -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 |
| Mass Solubility | 4.8 x 10-3 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Mass Solubility | 5.2 x 10-3 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Mass Solubility | 6.8 x 10-3 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.023 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.18 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Mass Solubility | 1.7 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Mass Solubility | 11 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Mass Solubility | 23 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Mass Solubility | 27 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Mass Solubility | 27 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.032 g/L | Unbuffered Water 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 | Unbuffered Water pH 4.18;Temp: 25 °C | (1) ACD |
| Molekular na Timbang | 397.43 | ||
| pKa | 3.84±0.21 | Pinakamaasim na Temp: 25 °C | (1) ACD |
| pKa | -0.21±0.70 | Karamihan sa 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)
Densidad
| Ari-arian | Halaga | Kundisyon | Pinagmulan |
| Densidad | 1.316±0.06 g/cm3 | Temp: 20 °C;Pindutin ang: 760 Torr | (1) ACD |
| Dami ng Molar | 301.8±3.0 cm3/mol | Temp: 20 °C;Pindutin ang: 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 |
| Mga Malayang Naiikot na Bono | 9 | (1) ACD | |
| H Mga Tatanggap | 8 | (1) ACD | |
| H Mga 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)
Kaugnay na Istruktura
| 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 |
| Punto ng pag-kulo | 671.5±55.0 °C | Pindutin ang: 760 Torr | (1) ACD |
| Enthalpy ng Vaporization | 103.64±3.0 kJ/mol | Pindutin ang: 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)
Available ang spectra
1H NMR
13C NMR
Listahan ng Regulatoryo: IECSC, TCSI, VNECI Kumpidensyal na Impormasyon sa Negosyo: Pampubliko
| Pang-regulatoryong Kasingkahulugan | ||
| Fmoc-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
| L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Mga Detalye ayon sa Bansa/Internasyonal at Iba Pang Listahan ng Bansa/Rehiyon na Magagamit ang Impormasyon
Buod ng Tsina
Katayuan ng Imbentaryo sa IECSC
Imbentaryo ng mga Umiiral na Chemical Substance sa China (Mga Nakalistang Pangalan): Fmoc-L-2-amino-5-ureido-n-valeric acid
Buod ng Taiwan
Katayuan ng Imbentaryo sa TCSI Taiwan Government Gazette
Buod ng Vietnam
Katayuan ng Imbentaryo sa VNECI
Vietnam Draft National Chemical Inventory
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