C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
Pwysau Moleciwlaidd | 397.43 | - |
Berwbwynt (Rhagweld) | 671.5 ±55.0 °C | Gwasg: 760 Torr |
Dwysedd (Rhagweld) | 1.316 ± 0.06 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr |
pKa (Rhagweld) | 3.84±0.21 | Tymheredd Mwyaf Asidig: 25 °C |
Canonaidd gwenu O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
Isomeric SMILES C(OC(N[C@H](CCCCNC(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
Allwedd InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Enwau Eraill ar y Sylwedd hwn
N5-(Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino) asid pentanoic; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl) methoxy] carbonyl] amino) asid pentanoic; 218: PN: U S20070042401 TUDALEN: 29 hawlio protein; 909: PN: WO2006135786 TUDALEN: 59 hawlio protein; Fmoc-L-Citrulline
Sbectra ar gael
1H NMR
13C NMR
Offeren
Eiddo ar gael |
Biolegol |
Cemegol |
Dwysedd |
Lipinski |
Strwythur Cysylltiedig |
Thermol |
Biolegol
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Ffactor Bio-ganolbwyntio | 54.3 | pH 1; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 52.8 | pH 2; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 40.0 | pH 3; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 11.7 | pH 4; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.45 | pH 5; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.0 | pH 6; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.0 | pH 7; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.0 | pH 8; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.0 | pH 9; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.0 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cemegol
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 606 | pH 1; Tymheredd: 25 °C | (1) ACD |
Koc | 589 | pH 2; Tymheredd: 25 °C | (1) ACD |
Koc | 446 | pH 3; Tymheredd: 25 °C | (1) ACD |
Koc | 130 | pH 4; Tymheredd: 25 °C | (1) ACD |
Koc | 16.2 | pH 5; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 1.76 | pH 6; Tymheredd: 25 °C | (1) ACD |
Koc | 1.0 | pH 7; Tymheredd: 25 °C | (1) ACD |
Koc | 1.0 | pH 8; Tymheredd: 25 °C | (1) ACD |
Koc | 1.0 | pH 9; Tymheredd: 25 °C | (1) ACD |
Koc | 1.0 | pH 10; Tymheredd: 25 °C | (1) ACD |
logD | 2.59 | pH 1; Tymheredd: 25 °C | (1) ACD |
logD | 2.57 | pH 2; Tymheredd: 25 °C | (1) ACD |
logD | 2.45 | pH 3; Tymheredd: 25 °C | (1) ACD |
logD | 1.92 | pH 4; Tymheredd: 25 °C | (1) ACD |
logD | 1.01 | pH 5; Tymheredd: 25 °C | (1) ACD |
logD | 0.05 | pH 6; Tymheredd: 25 °C | (1) ACD |
logD | -0.76 | pH 7; Tymheredd: 25 °C | (1) ACD |
logD | -1.10 | pH 8; Tymheredd: 25 °C | (1) ACD |
logD | -1.15 | pH 9; Tymheredd: 25 °C | (1) ACD |
logD | -1.16 | pH 10; Tymheredd: 25 °C | (1) ACD |
logP | 2.591±0.426 | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Torfol | 4.8 x 10-3 g/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 4.8 x 10-3 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 5.2 x 10-3 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 6.8 x 10-3 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 0.023 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 0.18 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 1.7 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 11 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 23 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 27 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 27 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 0.032 g/L | Dŵr heb ei glustogi pH 4.18; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid molar | 1.2 x 10-5 môl/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.2 x 10-5 môl/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.3 x 10-5 môl/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.7 x 10-5 môl/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Hydoddedd Molar | 5.7 x 10-5 môl/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 4.6 x 10-4 môl/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 4.2 x 10-3 môl/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 0.027 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 0.059 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 0.067 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 0.068 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 8.0 x 10-5 môl/L | Dŵr heb ei glustogi pH 4.18; Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 397.43 | ||
pKa | 3.84±0.21 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
pKa | -0.21±0.70 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
Pwysedd Anwedd | 6.01 x 10-19 Torr | Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Dwysedd | 1.316 ± 0.06 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
Cyfrol Molar | 301.8±3.0 cm3/mol | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Bondiau Cylchdroadwy | 9 | (1) ACD | |
H Derbynwyr | 8 | (1) ACD | |
H Rhoddwyr | 5 | (1) ACD | |
H Swm Rhoddwr/Derbynnydd | 13 | (1) ACD | |
logP | 2.591±0.426 | Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 397.43 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Strwythur Cysylltiedig
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Arwynebedd Pegynol | 131 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermol
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Berwbwynt | 671.5 ±55.0 °C | Gwasg: 760 Torr | (1) ACD |
Enthalpi o Anweddu | 103.64 ±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
Pwynt fflach | 359.9 ±31.5 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1H NMR
13C NMR
Rhestr Reoleiddio: IECSC, TCSI, VNECI Gwybodaeth Busnes Gyfrinachol: Cyhoeddus
Cyfystyron Rheoleiddio | ||
Fmoc-L-2-amino-5-ureido-n-valeric asid | IECSC | - |
L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Manylion fesul Gwlad/Rhyngwladol a Rhestrau Eraill Gwybodaeth Gwlad/Rhanbarth Ar Gael
Crynodeb Tsieina
Statws Stocrestr ar IECSC
Rhestr o Sylweddau Cemegol Presennol yn Tsieina Enw(au) Rhestredig: Fmoc-L-2-amino-5-ureido-n-valeric acid
Crynodeb Taiwan
Statws Stocrestr ar TCSI Taiwan Government Gazette
Crynodeb Fiet-nam
Statws Stocrestr ar VNECI
Rhestr Cemegol Genedlaethol Drafft Fietnam