C42H39N3O8 Hîn nehatiye Tayîn kirin
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 713.78 | - |
| Density (Pêşbîn kirin) | 1,315±0,06 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 8,23±0,10 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî 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
SMILES Îzomerî
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 Key
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Taybetmendiyên berdest |
| Biyolojîkî |
| Taybetmendiyên berdest |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 41700 | pH 1;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 41700 | pH 2;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 41700 | pH 3;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 41700 | pH 4;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 41700 | pH 5;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 41200 | pH 6;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 36900 | pH 7;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 18100 | pH 8;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 3290 | pH 9;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 718 | pH 10;Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 70600 | pH 1;Germ: 25 °C | (1) ACD |
| Koc | 70600 | pH 2;Germ: 25 °C | (1) ACD |
| Koc | 70600 | pH 3;Germ: 25 °C | (1) ACD |
| Koc | 70600 | pH 4;Germ: 25 °C | (1) ACD |
| Koc | 70500 | pH 5;Germ: 25 °C | (1) ACD |
| Koc | 69700 | pH 6;Germ: 25 °C | (1) ACD |
| Koc | 62400 | pH 7;Germ: 25 °C | (1) ACD |
| Koc | 30600 | pH 8;Germ: 25 °C | (1) ACD |
| Koc | 5560 | pH 9;Germ: 25 °C | (1) ACD |
| Koc | 1210 | pH 10;Germ: 25 °C | (1) ACD |
| logD | 6.38 | pH 1;Germ: 25 °C | (1) ACD |
| logD | 6.38 | pH 2;Germ: 25 °C | (1) ACD |
| logD | 6.38 | pH 3;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logD | 6.38 | pH 4;Germ: 25 °C | (1) ACD |
| logD | 6.38 | pH 5;Germ: 25 °C | (1) ACD |
| logD | 6.38 | pH 6;Germ: 25 °C | (1) ACD |
| logD | 6.33 | pH 7;Germ: 25 °C | (1) ACD |
| logD | 6.02 | pH 8;Germ: 25 °C | (1) ACD |
| logD | 5.28 | pH 9;Germ: 25 °C | (1) ACD |
| logD | 4.62 | pH 10;Germ: 25 °C | (1) ACD |
| logP | 6,382±0,644 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 5,1 x 10-7 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,1 x 10-7 g/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,1 x 10-7 g/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,1 x 10-7 g/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,1 x 10-7 g/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,1 x 10-7 g/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,1 x 10-7 g/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,7 x 10-7 g/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,1 x 10-6 g/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 6,4 x 10-6 g/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,9 x 10-5 g/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,7 x 10-7 g/L | pH ava nebuffered 7,00;Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 7,1 x 10-10 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,1 x 10-10 mol/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,1 x 10-10 mol/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,1 x 10-10 mol/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,1 x 10-10 mol/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,1 x 10-10 mol/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,2 x 10-10 mol/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 8,0 x 10-10 mol/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-9 mol/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 9,0 x 10-9 mol/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,1 x 10-8 mol/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 8,0 x 10-10 mol/L | pH ava nebuffered 7,00;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Giraniya molekulî | 713.78 | ||
| pKa | 8,23±0,10 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | -1,90±0,20 | Germahiya herî bingehîn: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,315±0,06 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 542,7±3,0 cm3/mol | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 13 | (1) ACD | |
| H Qebûrker | 11 | (1) ACD | |
| H Donors | 3 | (1) ACD | |
| H Donor / Qebûl Sum | 14 | (1) ACD | |
| logP | 6,382±0,644 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 713.78 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 136 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
![C41H43N3O9 Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)fenylmethyl]-2'-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)
![C21H21N3O6 Tîmîdîn, α – [(1-naftalenîlmethyl)amino]-α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C50H58N7O9P Adenosine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl ) fosforamidît] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C39H37N5O7 Adenozîn, N-benzoîl-5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'- O-metîl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C30H30N2O8 Ûrîdîn, 5'-O-[bis(4-metoksîfenîl)fenîlmetîl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)
![C30H28N2O7 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-metoksy phenyl)fenylmethoxy]methyl]-2,3,3a ,9a-tetrahîdro-3-hîdroksî-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)