C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
Boima ba Molek'hule | 397.43 | - |
Sebaka se belang (Se boletsoeng esale pele) | 671.5±55.0 °C | Tobetsa: 760 Torr |
Boima (bo boletsoeng esale pele) | 1.316±0.06 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
pKa (E boletsoeng esale pele) | 3.84±0,21 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Lipososo tsa Canonical 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
Senotlolo sa InChi
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Mabitso a Mang a Ntho ena
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 LEQEPHE: 29 e tsekoang protheine; 909: PN: WO2006135786 LEQEPHE: 59 protheine e batloang; Fmoc-L-Citrulline
Spectra e fumaneha
1H NMR
13C NMR
Mmisa
Thepa e teng |
Likokoana-hloko |
Lik'hemik'hale |
Botenya |
Lipinski |
Sebopeho se Amanang |
Mocheso |
Likokoana-hloko
Thepa | Boleng | Boemo | Mohloli |
Bioconcentration Factor | 54.3 | pH 1; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 52.8 | pH 2; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 40.0 | pH 3; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 11.7 | pH 4; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.45 | pH 5; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 6; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 7; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 8; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 9; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
Thepa | Boleng | Boemo | Mohloli |
Koc | 606 | pH 1; Mocheso: 25 °C | (1) ACD |
Koc | 589 | pH 2; Mocheso: 25 °C | (1) ACD |
Koc | 446 | pH 3; Mocheso: 25 °C | (1) ACD |
Koc | 130 | pH 4; Mocheso: 25 °C | (1) ACD |
Koc | 16.2 | pH 5; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Koc | 1.76 | pH 6; Mocheso: 25 °C | (1) ACD |
Koc | 1.0 | pH 7; Mocheso: 25 °C | (1) ACD |
Koc | 1.0 | pH 8; Mocheso: 25 °C | (1) ACD |
Koc | 1.0 | pH 9; Mocheso: 25 °C | (1) ACD |
Koc | 1.0 | pH 10; Mocheso: 25 °C | (1) ACD |
logD | 2.59 | pH 1; Mocheso: 25 °C | (1) ACD |
logD | 2.57 | pH 2; Mocheso: 25 °C | (1) ACD |
logD | 2.45 | pH 3; Mocheso: 25 °C | (1) ACD |
logD | 1.92 | pH 4; Mocheso: 25 °C | (1) ACD |
logD | 1.01 | pH 5; Mocheso: 25 °C | (1) ACD |
logD | 0.05 | pH 6; Mocheso: 25 °C | (1) ACD |
logD | -0.76 | pH 7; Mocheso: 25 °C | (1) ACD |
logD | -1.10 | pH 8; Mocheso: 25 °C | (1) ACD |
logD | -1.15 | pH 9; Mocheso: 25 °C | (1) ACD |
logD | -1.16 | pH 10; Mocheso: 25 °C | (1) ACD |
logP | 2.591±0.426 | Mocheso: 25 °C | (1) ACD |
Mass Intrinsic Sollubility | 4.8 x 10-3 g/L | Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 4.8 x 10-3 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 5.2 x 10-3 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 6.8 x 10-3 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 0.023 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 0.18 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.7 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 11 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 23 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 27 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 27 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 0.032 g/L | Metsi a sa tsitsang pH 4.18; Mocheso: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 1.2 x 10-5 mol/L | Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.2 x 10-5 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.3 x 10-5 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.7 x 10-5 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Molar Solubility | 5.7 x 10-5 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 4.6 x 10-4 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 4.2 x 10-3 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.027 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.059 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.067 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.068 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 8.0 x 10-5 mol/L | Metsi a sa tsitsang pH 4.18; Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 397.43 | ||
pKa | 3.84±0,21 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
pKa | -0.21±0,70 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
Khatello ea Mouoane | 6.01 x 10-19 Torr | Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
Thepa | Boleng | Boemo | Mohloli |
Botenya | 1.316±0.06 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molar | 301.8±3.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Thepa | Boleng | Boemo | Mohloli |
Li-Bonds tse ka fetolehang ka bolokolohi | 9 | (1) ACD | |
H Ba amohelang | 8 | (1) ACD | |
H Bafani | 5 | (1) ACD | |
H Kakaretso ea Mofani/Moamoheli | 13 | (1) ACD | |
logP | 2.591±0.426 | Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 397.43 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
Thepa | Boleng | Boemo | Mohloli |
Sebaka sa Polar Surface | 131 A2 | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Mocheso
Thepa | Boleng | Boemo | Mohloli |
Ntlha e belang | 671.5±55.0 °C | Tobetsa: 760 Torr | (1) ACD |
Enthalpy ea vaporization | 103.64±3.0 kJ/mol | Tobetsa: 760 Torr | (1) ACD |
Flash point | 359.9±31.5 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR
Lethathamo la Taolo: IECSC, TCSI, VNECI Boitsebiso ba Lekunutu ba Khoebo: Sechaba
Regulatory Synonyms | ||
Fmoc-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Lintlha ka Naha/Machabeng & Manane a Mang a Naha/Sebaka Litaba Tse Fumanehang
China Kakaretso
Boemo ba Inventory ho IECSC
Lenane la Lintho Tse Leng Teng tsa Lik'hemik'hale Chaena Mabitso a thathamisitsoeng: Fmoc-L-2-amino-5-ureido-n-valeric acid
Kakaretso ea Taiwan
Boemo ba Lethathamo ho TCSI Taiwan Government Gazette
Kakaretso ea Vietnam
Boemo ba Inventory ho VNECI
Vietnam Draft National Chemical Inventory