C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
Izici Zomzimba Eziyinhloko | Inani | Isimo |
Isisindo samangqamuzana | 397.43 | - |
Iphoyinti lokubilisa (elibikezelwe) | 671.5±55.0 °C | Cindezela: 760 Torr |
Ukuminyana (Kubikezelwe) | 1.316±0.06 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
pKa (Kubikezelwe) | 3.84±0.21 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
I-Isomeric SMILES C(OC(N[C@@H](CCCNC(N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2
I-InChI
I-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
Ukhiye we-InchI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Amanye Amagama Alesi Sitho
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 IKHASI: 29 amaprotheni afunwayo; 909: PN: WO2006135786 IKHASI: 59 amaprotheni afunwayo; I-Fmoc-L-Citrulline
I-Spectra iyatholakala
1H NMR
13C NMR
IMisa
Izakhiwo ezitholakalayo |
I-Biological |
Amakhemikhali |
Ukuminyana |
I-Lipinski |
Okuhlobene Nesakhiwo |
Okushisayo |
I-Biological
Impahla | Inani | Isimo | Umthombo |
I-Bioconcentration Factor | 54.3 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 52.8 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 40.0 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 11.7 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.45 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
Impahla | Inani | Isimo | Umthombo |
Koc | 606 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 589 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 446 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 130 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 16.2 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
Koc | 1.76 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.0 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.0 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.0 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.0 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logD | 2.59 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
logD | 2.57 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
logD | 2.45 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
logD | 1.92 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
logD | 1.01 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
logD | 0.05 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.76 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
logD | -1.10 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
logD | -1.15 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
logD | -1.16 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logP | 2.591±0.426 | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Intrinsic Solubility | 4.8 x 10-3 g/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 4.8 x 10-3 g/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.2 x 10-3 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 6.8 x 10-3 g/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.023 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.18 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.7 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 11 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 23 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 27g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 27g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.032 g/L | Amanzi Angahlutshiwe pH 4.18; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 1.2 x 10-5 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.2 x 10-5 mol/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.3 x 10-5 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.7 x 10-5 mol/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
I-Molar Solubility | 5.7 x 10-5 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 4.6 x 10-4 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 4.2 x 10-3 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.027 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.059 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.067 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.068 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 8.0 x 10-5 mol/L | Amanzi Angahlutshiwe pH 4.18; Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 397.43 | ||
pKa | 3.84±0.21 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
pKa | -0.21±0.70 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
I-Vapor Pressure | 6.01 x 10-19 Torr | Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
Impahla | Inani | Isimo | Umthombo |
Ukuminyana | 1.316±0.06 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
Ivolumu ye-Molar | 301.8±3.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
Impahla | Inani | Isimo | Umthombo |
Amabhondi Ashintshashintshayo Ngokukhululekile | 9 | (1) ACD | |
H Abamukelayo | 8 | (1) ACD | |
H Abanikeli | 5 | (1) ACD | |
H Isamba Somnikeli/Umamukeli | 13 | (1) ACD | |
logP | 2.591±0.426 | Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 397.43 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
Impahla | Inani | Isimo | Umthombo |
Indawo ye-Polar Surface | 131 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okushisayo
Impahla | Inani | Isimo | Umthombo |
Iphuzu elibilayo | 671.5±55.0 °C | Cindezela: 760 Torr | (1) ACD |
I-Enthalpy ye-Vaporization | 103.64±3.0 kJ/mol | Cindezela: 760 Torr | (1) ACD |
I-Flash Point | 359.9±31.5 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR
Uhlu Lokulawula: I-IECSC, TCSI, VNECI Ulwazi Lwebhizinisi Oluyimfihlo: Esidlangalaleni
Omqondofana Okulawula | ||
I-Fmoc-L-2-amino-5-ureido-n-valeric acid | I-IECSC | - |
I-L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Imininingwane Yezwe/Amazwe Nolunye Uhlu Ulwazi Lwezwe/Isifunda Olutholakalayo
China Isifinyezo
Isimo se-Inventory ku-IECSC
Uhlu Lwamakhemikhali Akhona E-China Amagama Asohlwini: Fmoc-L-2-amino-5-ureido-n-valeric acid
Isifinyezo sase-Taiwan
Isimo se-Inventory ku-TCSI Taiwan Government Gazette
Isifinyezo sase-Viet Nam
Isimo se-Inventory ku-VNECI
I-Vietnam Draft National Chemical Inventory