C42H39N3O8 Ankoraŭ Ne Asignita
| Ŝlosilaj Fizikaj Propraĵoj | Valoro | Kondiĉo |
| Molekula pezo | 713,78 | - |
| Denso (Antaŭvidita) | 1,315±0,06 g/cm3 | Temp: 20 °C;Gazetaro: 760 Torr |
| pKa (Antaŭvidita) | 8,23±0,10 | Plej Acida Temp: 25 °C |
Kanonaj RIDETOJ O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC) )C=C6)C7=CC=C(OC)C=C7)C(O)C4
Isomeraj RIDETOJ
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C (=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
InChI
InChI=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5-13-29,31-17-21-33(51- 2)22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43 -24-28-11-8-10-27-9-6-7-14-34(27)28/h3-22,25,36-38,46H,23-24,26H2,1-2H3,( H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
InChI Ŝlosilo
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Disponeblaj posedaĵoj |
| Biologia |
| Disponeblaj posedaĵoj |
| Kemiaĵo |
| Denso |
| Lipinski |
| Strukturo Rilata |
Biologia
| Proprieto | Valoro | Kondiĉo | Fonto |
| Biokoncentra Faktoro | 41700 | pH 1;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 41700 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 41700 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 41700 | pH 4;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 41700 | pH 5;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 41200 | pH 6;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 36900 | pH 7;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 18100 | pH 8;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 3290 | pH 9;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 718 | 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 | 70600 | pH 1;Temperaturo: 25 °C | (1) ACD |
| Koc | 70600 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Koc | 70600 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Koc | 70600 | pH 4;Temperaturo: 25 °C | (1) ACD |
| Koc | 70500 | pH 5;Temperaturo: 25 °C | (1) ACD |
| Koc | 69700 | pH 6;Temperaturo: 25 °C | (1) ACD |
| Koc | 62400 | pH 7;Temperaturo: 25 °C | (1) ACD |
| Koc | 30600 | pH 8;Temperaturo: 25 °C | (1) ACD |
| Koc | 5560 | pH 9;Temperaturo: 25 °C | (1) ACD |
| Koc | 1210 | pH 10;Temperaturo: 25 °C | (1) ACD |
| logD | 6.38 | pH 1;Temperaturo: 25 °C | (1) ACD |
| logD | 6.38 | pH 2;Temperaturo: 25 °C | (1) ACD |
| logD | 6.38 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| logD | 6.38 | pH 4;Temperaturo: 25 °C | (1) ACD |
| logD | 6.38 | pH 5;Temperaturo: 25 °C | (1) ACD |
| logD | 6.38 | pH 6;Temperaturo: 25 °C | (1) ACD |
| logD | 6.33 | pH 7;Temperaturo: 25 °C | (1) ACD |
| logD | 6.02 | pH 8;Temperaturo: 25 °C | (1) ACD |
| logD | 5.28 | pH 9;Temperaturo: 25 °C | (1) ACD |
| logD | 4.62 | pH 10;Temperaturo: 25 °C | (1) ACD |
| logP | 6,382±0,644 | Temperaturo: 25 °C | (1) ACD |
| Masa Intrinseka Solvebleco | 5,1 x 10-7 g/L | Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,1 x 10-7 g/L | pH 1;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,1 x 10-7 g/L | pH 2;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,1 x 10-7 g/L | pH 3;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,1 x 10-7 g/L | pH 4;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,1 x 10-7 g/L | pH 5;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,1 x 10-7 g/L | pH 6;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,7 x 10-7 g/L | pH 7;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,1 x 10-6 g/L | pH 8;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 6,4 x 10-6 g/L | pH 9;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,9 x 10-5 g/L | pH 10;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,7 x 10-7 g/L | Nebufrita Akvo pH 7.00;Temperaturo: 25 °C | (1) ACD |
| Molara Intrinseka Solvebleco | 7,1 x 10-10 mol/L | Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 7,1 x 10-10 mol/L | pH 1;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 7,1 x 10-10 mol/L | pH 2;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 7,1 x 10-10 mol/L | pH 3;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 7,1 x 10-10 mol/L | pH 4;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 7,1 x 10-10 mol/L | pH 5;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 7,2 x 10-10 mol/L | pH 6;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 8,0 x 10-10 mol/L | pH 7;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,6 x 10-9 mol/L | pH 8;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 9,0 x 10-9 mol/L | pH 9;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 4,1 x 10-8 mol/L | pH 10;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 8,0 x 10-10 mol/L | Nebufrita Akvo pH 7.00;Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| Molekula pezo | 713,78 | ||
| pKa | 8,23±0,10 | Plej Acida Temp: 25 °C | (1) ACD |
| pKa | -1,90±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 | 1,315±0,06 g/cm3 | Temp: 20 °C;Gazetaro: 760 Torr | (1) ACD |
| Molara Volumo | 542,7±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 | 6,382±0,644 | Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 713,78 |
(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
![C41H43N3O9 Citidino, N-benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′-O- (2-metoksietil)-5-metil- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)
![C21H21N3O6 Timidino, α – [(1-naftalenilmetil)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C50H58N7O9P Adenozino, N-benzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – O-(2-metoksietil)-, 3′ – [2-cianoetil N,N-bis(1-metiletil) ) fosforamidito] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C39H37N5O7 Adenozino, N-benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′- O-metil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C30H30N2O8 Uridino, 5′-O-[bis(4-metoxifenil)fenilmetil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pirimidin-6-one, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-2,3,3a ,9a-tetrahidro-3-hidroksi-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)