![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)ffenyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)ffenyl]- (9CI, ACI) Delwedd dan Sylw](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)ffenyl]- (9CI, ACI)
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 601.69 | - |
| Berwbwynt (Rhagweld) | 914.2±65.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagweld) | 1.276 ± 0.06 g/cm3 | Tymheredd: 20 ° C;Gwasg: 760 Torr |
| pKa (Rhagweld) | 10.63±0.46 | Tymheredd Mwyaf Asidig: 25 °C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)NC(C(=O)NC4=CC=C(C=C4)CO)CCCNC(=O) )N)C(C)C
Isomeric SMILES C(OC(N[C@H](C(N[C@H)(C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O)=O))[ C@H](C)C)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11- 26(24)27)31(41)37-28(12-7-17-35-32(34)42)30(40)36-22-15-13-21(18-39)14-16- 22/h3-6,8-11,13-16,20,27-29,39H,7,12,17-19H2,1-2H3,(H,36,40)(H,37,41)(H ,38,43)(H3,34,3
5,42)/t28-,29-/m0/s1
Allwedd InChI
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Enw Arall ar y Sylwedd hwn
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)ffenyl]-L-ornithinamid (ACI)
Sbectra ar gael
1H NMR
13C NMR
| Eiddo ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Strwythur Cysylltiedig |
| Thermol |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 809 | pH 1;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 912 | pH 2;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 923 | pH 3;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 924 | pH 4;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 924 | pH 5;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 924 | pH 6;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 924 | pH 7;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 922 | pH 8;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 903 | pH 9;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 750 | 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 | 4040 | pH 1;Tymheredd: 25 °C | (1) ACD |
| Koc | 4550 | pH 2;Tymheredd: 25 °C | (1) ACD |
| Koc | 4610 | pH 3;Tymheredd: 25 °C | (1) ACD |
| Koc | 4620 | pH 4;Tymheredd: 25 °C | (1) ACD |
| Koc | 4620 | pH 5;Tymheredd: 25 °C | (1) ACD |
| Koc | 4620 | pH 6;Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 4620 | pH 7;Tymheredd: 25 °C | (1) ACD |
| Koc | 4610 | pH 8;Tymheredd: 25 °C | (1) ACD |
| Koc | 4510 | pH 9;Tymheredd: 25 °C | (1) ACD |
| Koc | 3740. llarieidd-dra eg | pH 10;Tymheredd: 25 °C | (1) ACD |
| logD | 4.15 | pH 1;Tymheredd: 25 °C | (1) ACD |
| logD | 4.20 | pH 2;Tymheredd: 25 °C | (1) ACD |
| logD | 4.20 | pH 3;Tymheredd: 25 °C | (1) ACD |
| logD | 4.20 | pH 4;Tymheredd: 25 °C | (1) ACD |
| logD | 4.21 | pH 5;Tymheredd: 25 °C | (1) ACD |
| logD | 4.21 | pH 6;Tymheredd: 25 °C | (1) ACD |
| logD | 4.20 | pH 7;Tymheredd: 25 °C | (1) ACD |
| logD | 4.20 | pH 8;Tymheredd: 25 °C | (1) ACD |
| logD | 4.19 | pH 9;Tymheredd: 25 °C | (1) ACD |
| logD | 4.11 | pH 10;Tymheredd: 25 °C | (1) ACD |
| logP | 4.206±0.767 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 1.7 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 2.0 x 10-4 g/L | pH 1;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.7 x 10-4 g/L | pH 2;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.7 x 10-4 g/L | pH 3;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.7 x 10-4 g/L | pH 4;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.7 x 10-4 g/L | pH 5;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.7 x 10-4 g/L | pH 6;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.7 x 10-4 g/L | pH 7;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.7 x 10-4 g/L | pH 8;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.7 x 10-4 g/L | pH 9;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 2.1 x 10-4 g/L | pH 10;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.7 x 10-4 g/L | Dŵr heb ei glustogi pH 7.00;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 2.9 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.3 x 10-7 mol/L | pH 1;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-7 mol/L | pH 2;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-7 mol/L | pH 3;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-7 mol/L | pH 4;Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 2.9 x 10-7 mol/L | pH 5;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-7 mol/L | pH 6;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-7 mol/L | pH 7;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-7 mol/L | pH 8;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-7 mol/L | pH 9;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.5 x 10-7 mol/L | pH 10;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-7 mol/L | Dŵr heb ei glustogi pH 7.00;Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 601.69 | ||
| pKa | 10.63±0.46 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 0.13±0.50 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 0 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 | 1.276 ± 0.06 g/cm3 | Tymheredd: 20 ° C;Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 471.2 ±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 | 15 | (1) ACD | |
| H Derbynwyr | 11 | (1) ACD | |
| H Rhoddwyr | 7 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 18 | (1) ACD | |
| logP | 4.206±0.767 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 601.69 |
(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 | 172 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 | 914.2±65.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi o Anweddu | 139.25 ±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt fflach | 506.7±34.3 °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
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