C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
Zofunika Zathupi | Mtengo | Mkhalidwe |
Kulemera kwa Maselo | 397.43 | - |
Boiling Point (Zonenedweratu) | 671.5±55.0 °C | Press: 760 Torr |
Kachulukidwe (Zonenedweratu) | 1.316±0.06 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
pKa (Zonenedweratu) | 3.84±0.21 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira 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
InChi Key
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Mayina ena a chinthu ichi
N5-(Aminocarbonyl)-N2- [(9H-fluoren-9-ylmethoxy) carbonyl] -L-ornithine (ACI); (2S) -5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino) asidi pentanoic; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)pentanoic acid; 218: PN: U S20070042401 TSAMBA: 29 ankafuna mapuloteni; 909: PN: WO2006135786 TSAMBA: 59 ankafuna mapuloteni; Fmoc-L-Citrulline
Spectra ilipo
1H NMR
13C NMR
Misa
Katundu zilipo |
Zachilengedwe |
Chemical |
Kuchulukana |
Lipinski |
Zogwirizana ndi Kapangidwe |
Kutentha |
Zachilengedwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Bioconcentration Factor | 54.3 | pH 1; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 52.8 | pH 2; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 40.0 | pH 3; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 11.7 | pH 4; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.45 | pH 5; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 6; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 7; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 8; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 9; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 606 | pH 1; Kutentha: 25 ° C | (1) ACD |
Koc | 589 | pH 2; Kutentha: 25 ° C | (1) ACD |
Koc | 446 | pH 3; Kutentha: 25 ° C | (1) ACD |
Koc | 130 | pH 4; Kutentha: 25 ° C | (1) ACD |
Koc | 16.2 | pH 5; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 1.76 | pH 6; Kutentha: 25 ° C | (1) ACD |
Koc | 1.0 | pH 7; Kutentha: 25 ° C | (1) ACD |
Koc | 1.0 | pH 8; Kutentha: 25 ° C | (1) ACD |
Koc | 1.0 | pH 9; Kutentha: 25 ° C | (1) ACD |
Koc | 1.0 | pH 10; Kutentha: 25 ° C | (1) ACD |
logD | 2.59 | pH 1; Kutentha: 25 ° C | (1) ACD |
logD | 2.57 | pH 2; Kutentha: 25 ° C | (1) ACD |
logD | 2.45 | pH 3; Kutentha: 25 ° C | (1) ACD |
logD | 1.92 | pH 4; Kutentha: 25 ° C | (1) ACD |
logD | 1.01 | pH 5; Kutentha: 25 ° C | (1) ACD |
logD | 0.05 | pH 6; Kutentha: 25 ° C | (1) ACD |
logD | -0.76 | pH 7; Kutentha: 25 ° C | (1) ACD |
logD | -1.10 | pH 8; Kutentha: 25 ° C | (1) ACD |
logD | -1.15 | pH 9; Kutentha: 25 ° C | (1) ACD |
logD | -1.16 | pH 10; Kutentha: 25 ° C | (1) ACD |
logP | 2.591±0.426 | Kutentha: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 4.8 x 10-3 g/L | Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 4.8 x 10-3 g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.2 x 10-3 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 6.8 x 10-3 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 0.023 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 0.18g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 1.7g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 11 g/l | pH 7; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 23g/l | pH 8; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 27g/l | pH 9; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 27g/l | pH 10; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 0.032 g/L | Madzi Osasunthika pH 4.18; Kutentha: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 1.2 x 10-5 mol / L | Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.2 x 10-5 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.3 x 10-5 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.7 x 10-5 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Molar Solubility | 5.7 x 10-5 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 4.6 x 10-4 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 4.2 x 10-3 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.027 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.059 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.067 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.068 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 8.0 x 10-5 mol / L | Madzi Osasunthika pH 4.18; Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 397.43 | ||
pKa | 3.84±0.21 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
pKa | -0.21±0.70 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
Kuthamanga kwa Vapor | 6.01 x 10-19 Wolemba | Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kuchulukana
Katundu | Mtengo | Mkhalidwe | Gwero |
Kuchulukana | 1.316±0.06 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volume | 301.8±3.0cm3/mol | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Katundu | Mtengo | Mkhalidwe | Gwero |
Ma Bond Osinthasintha Mwaulere | 9 | (1) ACD | |
H Olandira | 8 | (1) ACD | |
H Opereka | 5 | (1) ACD | |
H Chiwerengero cha Wopereka / Wolandira | 13 | (1) ACD | |
logP | 2.591±0.426 | Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 397.43 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Malo a Polar Surface | 131 a2 | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kutentha
Katundu | Mtengo | Mkhalidwe | Gwero |
Boiling Point | 671.5±55.0 °C | Press: 760 Torr | (1) ACD |
Enthalpy ya vaporization | 103.64±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
Pophulikira | 359.9±31.5 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR
Mndandanda Woyang'anira: IECSC, TCSI, VNECI Zachinsinsi Zabizinesi: Pagulu
Mawu ofanana ndi malamulo | ||
Fmoc-L-2-amino-5-ureido-n-valeric asidi | Mtengo wa IECSC | - |
L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Tsatanetsatane ndi Dziko/ Mayiko & Mindandanda Ina Yadziko/Chigawo Zomwe Zilipo
China Chidule
Inventory Status pa IECSC
Mndandanda wa Zinthu Zamankhwala Zomwe Zilipo ku China Mayina (ma): Fmoc-L-2-amino-5-ureido-n-valeric acid
Chidule cha Taiwan
Mkhalidwe wa Inventory pa TCSI Taiwan Government Gazette
Viet Nam Summary
Inventory Status pa VNECI
Vietnam Draft National Chemical Inventory