![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 Image](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
| Pangunang Pisikal nga mga Kinaiya | Bili | kahimtang |
| Molekular nga Timbang | 397.43 | - |
| Boiling Point (Gitagna) | 671.5±55.0 °C | Press: 760 Torr |
| Densidad (Gitagna) | 1.316±0.06 g/cm3 | Temp: 20 °C;Press: 760 Torr |
| pKa (Gitagna) | 3.84±0.21 | Labing Acid nga 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
Yawe sa InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Ubang Ngalan alang niini nga Substansya
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 PANID: 29 giangkon nga protina;909: PN: WO2006135786 PANID: 59 giangkon nga protina;Fmoc-L-Citrulline
Magamit ang spectra
1H NMR
13C NMR
Misa
| Mga kabtangan nga magamit |
| Biyolohikal |
| Kemikal |
| Densidad |
| Lipinski |
| May Kalabutan sa Istruktura |
| Sa kainit |
Biyolohikal
| Property | Bili | kahimtang | Tinubdan |
| Bioconcentration Factor | 54.3 | pH 1;Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 52.8 | pH 2;Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 40.0 | pH 3;Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 11.7 | pH 4;Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.45 | pH 5;Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6;Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7;Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8;Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9;Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10;Temperatura: 25 °C | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikal
| Property | Bili | kahimtang | Tinubdan |
| Si Koc | 606 | pH 1;Temperatura: 25 °C | (1) ACD |
| Si Koc | 589 | pH 2;Temperatura: 25 °C | (1) ACD |
| Si Koc | 446 | pH 3;Temperatura: 25 °C | (1) ACD |
| Si Koc | 130 | pH 4;Temperatura: 25 °C | (1) ACD |
| Si Koc | 16.2 | pH 5;Temperatura: 25 °C | (1) ACD |
| Property | Bili | kahimtang | Tinubdan |
| Si Koc | 1.76 | pH 6;Temperatura: 25 °C | (1) ACD |
| Si Koc | 1.0 | pH 7;Temperatura: 25 °C | (1) ACD |
| Si Koc | 1.0 | pH 8;Temperatura: 25 °C | (1) ACD |
| Si Koc | 1.0 | pH 9;Temperatura: 25 °C | (1) ACD |
| Si 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 |
| Mass Intrinsic Solubility | 4.8 x 10-3 g/L | Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 4.8 x 10-3 g/L | pH 1;Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 5.2 x 10-3 g/L | pH 2;Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 6.8 x 10-3 g/L | pH 3;Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 0.023 g/L | pH 4;Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 0.18 g/L | pH 5;Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.7 g/L | pH 6;Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 11 g/L | pH 7;Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 23 g/L | pH 8;Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 27 g/L | pH 9;Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 27 g/L | pH 10;Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 0.032 g/L | Walay Buffered nga Tubig pH 4.18;Temperatura: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.2 x 10-5 mol/L | Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 1.2 x 10-5 mol/L | pH 1;Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 1.3 x 10-5 mol/L | pH 2;Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 1.7 x 10-5 mol/L | pH 3;Temperatura: 25 °C | (1) ACD |
| Property | Bili | kahimtang | Tinubdan |
| Pagkamatunaw sa Molar | 5.7 x 10-5 mol/L | pH 4;Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 4.6 x 10-4 mol/L | pH 5;Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 4.2 x 10-3 mol/L | pH 6;Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 0.027 mol/L | pH 7;Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 0.059 mol/L | pH 8;Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 0.067 mol/L | pH 9;Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 0.068 mol/L | pH 10;Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 8.0 x 10-5 mol/L | Walay Buffered nga Tubig pH 4.18;Temperatura: 25 °C | (1) ACD |
| Molekular nga Timbang | 397.43 | ||
| pKa | 3.84±0.21 | Labing Acid nga Temp: 25 °C | (1) ACD |
| pKa | -0.21±0.70 | Labing Sukaranan nga Temp: 25 °C | (1) ACD |
| Presyon sa singaw | 6.01 x 10-19 Torr | Temperatura: 25 °C | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Densidad
| Property | Bili | kahimtang | Tinubdan |
| Densidad | 1.316±0.06 g/cm3 | Temp: 20 °C;Press: 760 Torr | (1) ACD |
| Volume sa Molar | 301.8±3.0 cm3/mol | Temp: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Property | Bili | kahimtang | Tinubdan |
| Libre nga Rotatable Bonds | 9 | (1) ACD | |
| H Mga tigdawat | 8 | (1) ACD | |
| H Mga Donor | 5 | (1) ACD | |
| H Donor/Acceptor Sum | 13 | (1) ACD | |
| logP | 2.591±0.426 | Temperatura: 25 °C | (1) ACD |
| Molekular nga Timbang | 397.43 |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
May Kalabutan sa Istruktura
| Property | Bili | kahimtang | Tinubdan |
| Polar Surface Area | 131 A2 | (1) ACD | |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sa kainit
| Property | Bili | kahimtang | Tinubdan |
| Nagbukal nga Punto | 671.5±55.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 103.64±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 359.9±31.5 °C | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Magamit ang spectra
1H NMR
13C NMR
Listahan sa Regulatoryo: IECSC, TCSI, VNECI Kompidensyal nga Impormasyon sa Negosyo: Publiko
| 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 sa Nasud/Internasyonal ug Ubang mga Listahan Nasad/Rehiyon nga Impormasyon Anaa
Kinatibuk-an sa China
Status sa Imbentaryo sa IECSC
Imbentaryo sa Naglungtad nga Chemical Substances sa China (Mga Nalista nga Ngalan): Fmoc-L-2-amino-5-ureido-n-valeric acid
Sumaryo sa Taiwan
Status sa Imbentaryo sa TCSI Taiwan Government Gazette
Vietnam Summary
Status sa Imbentaryo sa VNECI
Vietnam Draft National Chemical Inventory
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