![C33H39N5O6 L-Ornitinamido, N-[(9H-fluoren-9-ilmetoksi)karbonil]-L-valil-N5- (aminokarbonil)-N-[4-(hidroksimetil)fenil]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornitinamido, N-[(9H-fluoren-9-ilmetoksi)karbonil]-L-valil-N5- (aminokarbonil)-N-[4-(hidroksimetil)fenil]- (9CI, ACI) Elstara bildo](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornitinamido, N-[(9H-fluoren-9-ilmetoksi)karbonil]-L-valil-N5- (aminokarbonil)-N-[4-(hidroksimetil)fenil]- (9CI, ACI)
| Ŝlosilaj Fizikaj Propraĵoj | Valoro | Kondiĉo |
| Molekula pezo | 601.69 | - |
| Bolpunkto (Antaŭvidita) | 914,2±65,0 °C | Gazetaro: 760 Torr |
| Denso (Antaŭvidita) | 1,276±0,06 g/cm3 | Temp: 20 °C;Gazetaro: 760 Torr |
| pKa (Antaŭvidita) | 10,63±0,46 | Plej Acida Temp: 25 °C |
Kanonaj RIDETOJ 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
Isomeraj RIDETOJ 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
InChI Ŝlosilo
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Alia Nomo por ĉi tiu Substanco
N-[(9H-Fluoren-9-ilmetoksi)karbonil]-L-valil-N5-(aminokarbonil)-N-[4-(hidroksimetil)fenil]-L-ornitinamido (ACI)
Spektro haveblaj
1H NMR
13C NMR
| Disponeblaj posedaĵoj |
| Biologia |
| Kemiaĵo |
| Denso |
| Lipinski |
| Strukturo Rilata |
| Termika |
Biologia
| Proprieto | Valoro | Kondiĉo | Fonto |
| Biokoncentra Faktoro | 809 | pH 1;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 912 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 923 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 924 | pH 4;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 924 | pH 5;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 924 | pH 6;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 924 | pH 7;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 922 | pH 8;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 903 | pH 9;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 750 | pH 10;Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Kemiaĵo
| Proprieto | Valoro | Kondiĉo | Fonto |
| Koc | 4040 | pH 1;Temperaturo: 25 °C | (1) ACD |
| Koc | 4550 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Koc | 4610 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Koc | 4620 | pH 4;Temperaturo: 25 °C | (1) ACD |
| Koc | 4620 | pH 5;Temperaturo: 25 °C | (1) ACD |
| Koc | 4620 | pH 6;Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| Koc | 4620 | pH 7;Temperaturo: 25 °C | (1) ACD |
| Koc | 4610 | pH 8;Temperaturo: 25 °C | (1) ACD |
| Koc | 4510 | pH 9;Temperaturo: 25 °C | (1) ACD |
| Koc | 3740 | pH 10;Temperaturo: 25 °C | (1) ACD |
| logD | 4.15 | pH 1;Temperaturo: 25 °C | (1) ACD |
| logD | 4.20 | pH 2;Temperaturo: 25 °C | (1) ACD |
| logD | 4.20 | pH 3;Temperaturo: 25 °C | (1) ACD |
| logD | 4.20 | pH 4;Temperaturo: 25 °C | (1) ACD |
| logD | 4.21 | pH 5;Temperaturo: 25 °C | (1) ACD |
| logD | 4.21 | pH 6;Temperaturo: 25 °C | (1) ACD |
| logD | 4.20 | pH 7;Temperaturo: 25 °C | (1) ACD |
| logD | 4.20 | pH 8;Temperaturo: 25 °C | (1) ACD |
| logD | 4.19 | pH 9;Temperaturo: 25 °C | (1) ACD |
| logD | 4.11 | pH 10;Temperaturo: 25 °C | (1) ACD |
| logP | 4,206±0,767 | Temperaturo: 25 °C | (1) ACD |
| Masa Intrinseka Solvebleco | 1,7 x 10-4 g/L | Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,0 x 10-4 g/L | pH 1;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,7 x 10-4 g/L | pH 2;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,7 x 10-4 g/L | pH 3;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,7 x 10-4 g/L | pH 4;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,7 x 10-4 g/L | pH 5;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,7 x 10-4 g/L | pH 6;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,7 x 10-4 g/L | pH 7;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,7 x 10-4 g/L | pH 8;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,7 x 10-4 g/L | pH 9;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,1 x 10-4 g/L | pH 10;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,7 x 10-4 g/L | Nebufrita Akvo pH 7.00;Temperaturo: 25 °C | (1) ACD |
| Molara Intrinseka Solvebleco | 2,9 x 10-7 mol/L | Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 3,3 x 10-7 mol/L | pH 1;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-7 mol/L | pH 2;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-7 mol/L | pH 3;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-7 mol/L | pH 4;Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| Molara Solvebleco | 2,9 x 10-7 mol/L | pH 5;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-7 mol/L | pH 6;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-7 mol/L | pH 7;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-7 mol/L | pH 8;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-7 mol/L | pH 9;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 3,5 x 10-7 mol/L | pH 10;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-7 mol/L | Nebufrita Akvo pH 7.00;Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 601.69 | ||
| pKa | 10,63±0,46 | Plej Acida Temp: 25 °C | (1) ACD |
| pKa | 0,13±0,50 | Plej Baza Temperaturo: 25 °C | (1) ACD |
| Vapora Premo | 0 Torr | Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Denso
| Proprieto | Valoro | Kondiĉo | Fonto |
| Denso | 1,276±0,06 g/cm3 | Temp: 20 °C;Gazetaro: 760 Torr | (1) ACD |
| Molara Volumo | 471,2±3,0 cm3/mol | Temp: 20 °C;Gazetaro: 760 Torr | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Proprieto | Valoro | Kondiĉo | Fonto |
| Libere Rotacieblaj Obligacioj | 15 | (1) ACD | |
| H Akceptantoj | 11 | (1) ACD | |
| H Donantoj | 7 | (1) ACD | |
| H Sumo de donacanto/akceptanto | 18 | (1) ACD | |
| logP | 4,206±0,767 | Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 601.69 |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Strukturo Rilata
| Proprieto | Valoro | Kondiĉo | Fonto |
| Polusa Surfacareo | 172 A2 | (1) ACD | |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Termika
| Proprieto | Valoro | Kondiĉo | Fonto |
| Bolpunkto | 914,2±65,0 °C | Gazetaro: 760 Torr | (1) ACD |
| Entalpio de Vaporiĝo | 139,25±3,0 kJ/mol | Gazetaro: 760 Torr | (1) ACD |
| Ekbrilo Punkto | 506,7±34,3 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Spektro haveblaj
1H NMR
13C NMR
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