C21H23N3O5 L-Ornithine, N5- (aminocarbonyl) -N2- [(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
Nauyin Kwayoyin Halitta | 397.43 | - |
Wurin tafasa (An annabta) | 671.5±55.0 °C | Latsa: 760 Torr |
Girma (An annabta) | 1.316 ± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
pKa (An annabta) | 3.84± 0.21 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES 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 Wasu Sunaye na wannan Abu
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 SHAFI: 29 da'awar furotin; 909: PN: WO2006135786 SHAFI: 59 da'awar furotin; Fmoc-L-Citrulline
Spectra akwai
1H NMR
13C NMR
Mass
Properties akwai |
Halittu |
Chemical |
Yawan yawa |
Lipinski |
Tsarin Yanayi |
Thermal |
Halittu
Dukiya | Daraja | Sharadi | Source |
Factor na Bioconcentration | 54.3 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 52.8 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 40.0 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 11.7 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.45 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Dukiya | Daraja | Sharadi | Source |
Koc | 606 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 589 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 446 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 130 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 16.2 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Koc | 1.76 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.0 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.0 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.0 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.0 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logD | 2.59 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 2.57 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | 2.45 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 1.92 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 1.01 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 0.05 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | -0.76 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | -1.10 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | -1.15 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | -1.16 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 2.591± 0.426 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 4.8 x 10-3 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.8 x 10-3 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.2 x 10-3 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 6.8 x 10-3 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.023 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.18 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.7 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 11 g/l | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 23 g/l | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 27 g/l | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 27 g/l | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.032 g/L | Ruwan da ba a buƙata ba pH 4.18; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 1.2 x 10-5 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.2 x 10-5 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.3 x 10-5 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.7 x 10-5 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Solubility na Molar | 5.7 x 10-5 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.6 x 10-4 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.2 x 10-3 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.027 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.059 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.067 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.068 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 8.0 x 10-5 mol/L | Ruwan da ba a buƙata ba pH 4.18; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 397.43 | ||
pKa | 3.84± 0.21 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | -0.21 ± 0.70 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
Ruwan Ruwa | 6.01 x 10-19 Torr | Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
Dukiya | Daraja | Sharadi | Source |
Yawan yawa | 1.316 ± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
Ƙarar Molar | 301.8± 3.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Dukiya | Daraja | Sharadi | Source |
Ƙimar Rarraba Kyauta | 9 | (1) ACD | |
H Masu karɓa | 8 | (1) ACD | |
H Masu Ba da taimako | 5 | (1) ACD | |
H Donor/Acceptor Sum | 13 | (1) ACD | |
logP | 2.591± 0.426 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 397.43 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
Dukiya | Daraja | Sharadi | Source |
Wuri Mai Girma | 131 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
Dukiya | Daraja | Sharadi | Source |
Wurin Tafasa | 671.5±55.0 °C | Latsa: 760 Torr | (1) ACD |
Enthalpy na Vaporization | 103.64± 3.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
Wurin Flash | 359.9± 31.5 °C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR
Jerin Ka'idoji: IECSC, TCSI, VNECI Bayanan Kasuwanci na Sirri: Jama'a
Ma'anar Daidaitawa | ||
Fmoc-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
L-Ornithine, N5- (aminocarbonyl) -N2- [(9H-fluoren-9-ylmethoxy) carbon] - | TCSI, VNECI | - |
Cikakkun bayanai ta Ƙasa/Ƙasashen Duniya & Sauran Bayanan Ƙasa/Yanki Akwai
Takaitacciyar Kasar Sin
Matsayin Inventory akan IECSC
Ƙididdiga na Abubuwan Sinadarai da suka wanzu a cikin Sunan (s): Fmoc-L-2-amino-5-ureido-n-valeric acid
Takaitaccen tarihin Taiwan
Matsayin Inventory on TCSI Taiwan Government Gazette
Takaitattun Labarai na Vietnam
Matsayin Inventory akan VNECI
Vietnam Draft National Chemical Inventory