C38H37N3O8 Ankoraŭ Ne Asignita
| Ŝlosilaj Fizikaj Propraĵoj | Valoro | Kondiĉo |
| Molekula pezo | 663,72 | - |
| Denso (Antaŭvidita) | 1,304±0,06 g/cm3 | Temp: 20 °C;Gazetaro: 760 Torr |
| pKa (Antaŭvidita) | 8,27±0,10 | Plej Acida Temp: 25 °C |
Kanonaj RIDETOJ O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
Isomeraj RIDETOJ
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InChI
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47- 2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39 -22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40 ,44,45)/t32-
,33+,34+/m0/s1
InChI Ŝlosilo
NZBGRVLZISPURB-LBFZIJHGSA-N
| Disponeblaj posedaĵoj |
| Biologia |
| Disponeblaj posedaĵoj |
| Kemiaĵo |
| Denso |
| Lipinski |
| Strukturo Rilata |
Biologia
| Proprieto | Valoro | Kondiĉo | Fonto |
| Biokoncentra Faktoro | 5250 | pH 1;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 5250 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 5260 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 5260 | pH 4;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 5250 | pH 5;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 5200 | pH 6;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 4720 | pH 7;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 2460 | pH 8;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 466 | pH 9;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 96.9 | 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 | 16000 | pH 1;Temperaturo: 25 °C | (1) ACD |
| Koc | 16000 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Koc | 16000 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Koc | 16000 | pH 4;Temperaturo: 25 °C | (1) ACD |
| Koc | 16000 | pH 5;Temperaturo: 25 °C | (1) ACD |
| Koc | 15800 | pH 6;Temperaturo: 25 °C | (1) ACD |
| Koc | 14400 | pH 7;Temperaturo: 25 °C | (1) ACD |
| Koc | 7510 | pH 8;Temperaturo: 25 °C | (1) ACD |
| Koc | 1420 | pH 9;Temperaturo: 25 °C | (1) ACD |
| Koc | 296 | pH 10;Temperaturo: 25 °C | (1) ACD |
| logD | 5.20 | pH 1;Temperaturo: 25 °C | (1) ACD |
| logD | 5.20 | pH 2;Temperaturo: 25 °C | (1) ACD |
| logD | 5.20 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| logD | 5.20 | pH 4;Temperaturo: 25 °C | (1) ACD |
| logD | 5.20 | pH 5;Temperaturo: 25 °C | (1) ACD |
| logD | 5.19 | pH 6;Temperaturo: 25 °C | (1) ACD |
| logD | 5.15 | pH 7;Temperaturo: 25 °C | (1) ACD |
| logD | 4.87 | pH 8;Temperaturo: 25 °C | (1) ACD |
| logD | 4.15 | pH 9;Temperaturo: 25 °C | (1) ACD |
| logD | 3.46 | pH 10;Temperaturo: 25 °C | (1) ACD |
| logP | 5,198±0,644 | Temperaturo: 25 °C | (1) ACD |
| Masa Intrinseka Solvebleco | 9,3 x 10-6 g/L | Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 9,3 x 10-6 g/L | pH 1;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 9,3 x 10-6 g/L | pH 2;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 9,3 x 10-6 g/L | pH 3;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 9,3 x 10-6 g/L | pH 4;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 9,3 x 10-6 g/L | pH 5;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 9,3 x 10-6 g/L | pH 6;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,1 x 10-5 g/L | pH 7;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,0 x 10-5 g/L | pH 8;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,1 x 10-4 g/L | pH 9;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,1 x 10-4 g/L | pH 10;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,1 x 10-5 g/L | Nebufrita Akvo pH 7.00;Temperaturo: 25 °C | (1) ACD |
| Molara Intrinseka Solvebleco | 1,4 x 10-8 mol/L | Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,4 x 10-8 mol/L | pH 1;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,4 x 10-8 mol/L | pH 2;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,4 x 10-8 mol/L | pH 3;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,4 x 10-8 mol/L | pH 4;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,4 x 10-8 mol/L | pH 5;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,4 x 10-8 mol/L | pH 6;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,6 x 10-8 mol/L | pH 7;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 3,0 x 10-8 mol/L | pH 8;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,6 x 10-7 mol/L | pH 9;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 7,7 x 10-7 mol/L | pH 10;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,6 x 10-8 mol/L | Nebufrita Akvo pH 7.00;Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| Molekula pezo | 663,72 | ||
| pKa | 8,27±0,10 | Plej Acida Temp: 25 °C | (1) ACD |
| pKa | -1,66±0,20 | Plej Baza 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 | 1,304±0,06 g/cm3 | Temp: 20 °C;Gazetaro: 760 Torr | (1) ACD |
| Molara Volumo | 508,6±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 | 13 | (1) ACD | |
| H Akceptantoj | 11 | (1) ACD | |
| H Donantoj | 3 | (1) ACD | |
| H Sumo de donacanto/akceptanto | 14 | (1) ACD | |
| logP | 5,198±0,644 | Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 663,72 |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Strukturo Rilata
| Proprieto | Valoro | Kondiĉo | Fonto |
| Polusa Surfacareo | 136 A2 | (1) ACD | |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Spektro haveblaj
1H NMR
13C NMR
![C39H37N5O7 Adenozino, N-benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′- O-metil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C21H21N3O6 Timidino, α – [(1-naftalenilmetil)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C13H13NO5 1H-Pyrano[3,4-f]indolizin-3,6,10(4H)-triono, 4-etil-7,8-dihidro-4-hidroksi-, (4S)- (9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.jpg)
![C45H56N7O9P Guanozino, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -O-metil- N-(2-metil-1-oxopropil)-, 3′ – [2-cianoetil N,N-bis (1-metiletil) fosforamidito] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenozino, N-benzoil-5′ -O- [bis(4-metoxifenil)fenilmetil] -2′ – O- [(1,1-dimetiletil)dimetilsilil]-, 3′ – [2-cianoetil N,N-bis(1-metiletil)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)