C21H23N3O5 L-Ornithine, N5- (aminocarbonyl) -N2- [(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
Key Properties Properties | Iye | Ipo |
Òṣuwọn Molikula | 397.43 | - |
Oju Ise (Asọtẹlẹ) | 671,5 ± 55,0 °C | Tẹ: 760 Torr |
iwuwo (Asọtẹlẹ) | 1,316 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
pKa (Asọtẹlẹ) | 3.84± 0.21 | Pupọ Epo otutu: 25 °C |
SILES Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCCNC(=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 Awọn orukọ miiran fun nkan yii
N5-(Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbon] -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 OJU: 29 ti o ni ẹtọ amuaradagba; 909: PN: WO2006135786 EWE: 59 so protein; Fmoc-L-Citrulline
Spectra wa
1H NMR
13C NMR
Ibi
Awọn ohun-ini ti o wa |
Ti ibi |
Kemikali |
iwuwo |
Lipinski |
Ilana Jẹmọ |
Gbona |
Ti ibi
Ohun ini | Iye | Ipo | Orisun |
Bioconcentration ifosiwewe | 54.3 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 52.8 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 40.0 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 11.7 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.45 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikali
Ohun ini | Iye | Ipo | Orisun |
Koc | 606 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Koc | 589 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Koc | 446 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Koc | 130 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Koc | 16.2 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Ohun ini | Iye | Ipo | Orisun |
Koc | 1.76 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Koc | 1.0 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Koc | 1.0 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Koc | 1.0 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Koc | 1.0 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
logD | 2.59 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
logD | 2.57 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
logD | 2.45 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
logD | 1.92 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
logD | 1.01 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
logD | 0.05 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.76 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
logD | -1.10 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
logD | -1.15 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
logD | -1.16 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
logP | 2.591 ± 0.426 | Iwọn otutu: 25 °C | (1) ACD |
Ibi Isolubu Agbekale | 4,8 x 10-3 g/L | Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 4,8 x 10-3 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 5.2 x 10-3 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 6,8 x 10-3 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 0.023 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 0.18 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 1.7 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 11 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 23 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 27 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 27 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 0.032 g/L | Omi ti a ko fi silẹ pH 4.18; Iwọn otutu: 25 °C | (1) ACD |
Solubility Inu inu Molar | 1.2 x 10-5 mol/L | Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 1.2 x 10-5 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 1.3 x 10-5 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 1,7 x 10-5 mol / L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Ohun ini | Iye | Ipo | Orisun |
Solubility Molar | 5.7 x 10-5 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 4.6 x 10-4 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 4.2 x 10-3 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.027 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.059 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.067 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.068 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 8.0 x 10-5 mol/L | Omi ti a ko fi silẹ pH 4.18; Iwọn otutu: 25 °C | (1) ACD |
Òṣuwọn Molikula | 397.43 | ||
pKa | 3.84± 0.21 | Pupọ Epo otutu: 25 °C | (1) ACD |
pKa | -0,21 ± 0,70 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
Oru Ipa | 6,01 x 10-19 Torr | Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
iwuwo
Ohun ini | Iye | Ipo | Orisun |
iwuwo | 1,316 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
Iwọn didun Molar | 301,8 ± 3,0 cm3 / mol | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Ohun ini | Iye | Ipo | Orisun |
Larọwọto Rotatable Bonds | 9 | (1) ACD | |
H Awọn olugba | 8 | (1) ACD | |
H Awọn oluranlọwọ | 5 | (1) ACD | |
H Oluranlọwọ / Olugba Apapọ | 13 | (1) ACD | |
logP | 2.591 ± 0.426 | Iwọn otutu: 25 °C | (1) ACD |
Òṣuwọn Molikula | 397.43 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ilana Jẹmọ
Ohun ini | Iye | Ipo | Orisun |
Pola dada Area | 131 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gbona
Ohun ini | Iye | Ipo | Orisun |
Ojuami farabale | 671,5 ± 55,0 °C | Tẹ: 760 Torr | (1) ACD |
Enthalpy ti Vaporization | 103.64 ± 3.0 kJ / mol | Tẹ: 760 Torr | (1) ACD |
Oju filaṣi | 359,9 ± 31,5 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
Akojọ ilana: IECSC, TCSI, VNECI Asiri Business Alaye: Gbangba
Awọn Synonyms ilana | ||
Fmoc-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
L-Ornithine, N5- (aminocarbonyl) -N2-[(9H-fluoren-9-ylmethoxy) carbon]- | TCSI, VNECI | - |
Awọn alaye nipasẹ Orilẹ-ede/Ti kariaye & Awọn atokọ Orilẹ-ede miiran / Alaye Agbegbe Wa
China Lakotan
Ipo Iṣura lori IECSC
Iṣakojọpọ Awọn nkan Kemikali ti o wa tẹlẹ ni Ilu China Akojọ Awọn orukọ: Fmoc-L-2-amino-5-ureido-n-valeric acid
Akopọ Taiwan
Oja Ipo lori TCSI Taiwan Government Gesetti
Viet Nam Lakotan
Oja Ipo lori VNECI
Vietnam Draft National Kemikali Oja