C38H37N3O8 Hîn nehatiye Tayîn kirin
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 663.72 | - |
| Density (Pêşbîn kirin) | 1,304±0,06 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 8,27±0,10 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî 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
SMILES Îzomerî
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=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 Key
NZBGRVLZISPURB-LBFZIJHGSA-N
| Taybetmendiyên berdest |
| Biyolojîkî |
| Taybetmendiyên berdest |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 5250 | pH 1;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 5250 | pH 2;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 5260 | pH 3;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 5260 | pH 4;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 5250 | pH 5;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 5200 | pH 6;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 4720 | pH 7;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2460 | pH 8;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 466 | pH 9;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 96.9 | 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 | 16000 | pH 1;Germ: 25 °C | (1) ACD |
| Koc | 16000 | pH 2;Germ: 25 °C | (1) ACD |
| Koc | 16000 | pH 3;Germ: 25 °C | (1) ACD |
| Koc | 16000 | pH 4;Germ: 25 °C | (1) ACD |
| Koc | 16000 | pH 5;Germ: 25 °C | (1) ACD |
| Koc | 15800 | pH 6;Germ: 25 °C | (1) ACD |
| Koc | 14400 | pH 7;Germ: 25 °C | (1) ACD |
| Koc | 7510 | pH 8;Germ: 25 °C | (1) ACD |
| Koc | 1420 | pH 9;Germ: 25 °C | (1) ACD |
| Koc | 296 | pH 10;Germ: 25 °C | (1) ACD |
| logD | 5.20 | pH 1;Germ: 25 °C | (1) ACD |
| logD | 5.20 | pH 2;Germ: 25 °C | (1) ACD |
| logD | 5.20 | pH 3;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logD | 5.20 | pH 4;Germ: 25 °C | (1) ACD |
| logD | 5.20 | pH 5;Germ: 25 °C | (1) ACD |
| logD | 5.19 | pH 6;Germ: 25 °C | (1) ACD |
| logD | 5.15 | pH 7;Germ: 25 °C | (1) ACD |
| logD | 4.87 | pH 8;Germ: 25 °C | (1) ACD |
| logD | 4.15 | pH 9;Germ: 25 °C | (1) ACD |
| logD | 3.46 | pH 10;Germ: 25 °C | (1) ACD |
| logP | 5,198±0,644 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 9,3 x 10-6 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 9,3 x 10-6 g/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 9,3 x 10-6 g/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 9,3 x 10-6 g/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 9,3 x 10-6 g/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 9,3 x 10-6 g/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 9,3 x 10-6 g/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,1 x 10-5 g/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,0 x 10-5 g/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,1 x 10-4 g/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,1 x 10-4 g/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,1 x 10-5 g/L | pH ava nebuffered 7,00;Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 1,4 x 10-8 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-8 mol/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-8 mol/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-8 mol/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-8 mol/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-8 mol/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-8 mol/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-8 mol/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,0 x 10-8 mol/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-7 mol/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,7 x 10-7 mol/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-8 mol/L | pH ava nebuffered 7,00;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Giraniya molekulî | 663.72 | ||
| pKa | 8,27±0,10 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | -1,66±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 | 1,304±0,06 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 508,6±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 | 5,198±0,644 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 663.72 |
(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
![C39H37N5O7 Adenozîn, N-benzoîl-5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'- O-metîl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C21H21N3O6 Tîmîdîn, α – [(1-naftalenîlmethyl)amino]-α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.jpg)
![C45H56N7O9P Guanosine, 5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' -O-methyl- N-(2-methyl-1-oksopropil)-, 3' - [2-cyanoethyl N,N-bis (1-methylethyl) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
