![C39H37N5O7 Adenosine, N-Benzoyl-5'-O- [Bis (4-metoxyphenyl) Phenylmethyl] -2'- O-Methyl- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39h37n5o7 adenosine, n-benzoyl-5'-o- [bis (4-metoxyphenyl) phenylmethyl] -2'- o-methyl- (9ci, aci) featured image](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 Adenosine, N-Benzoyl-5'-O- [Bis (4-metoxyphenyl) Phenylmethyl] -2'- O-Methyl- (9ci, ACI)
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 687.74 | - |
| Dendik (texmîn kirin) | 1.32 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 7.87 ± 0.43 | Temana herî acid: 25 ° C |
Smiles canonical o = c (nc1 = nc = nc2 = c1n = cn2c3oc (c5 = cc = c = c5) c = c6) c (o) cc = c4oc) c = 7c = cc = cc7
Isomeric bişirîn
C (OC [C @ H] 1o [C @ h] ([C @ h] 1o) N2C = 3C (= cc) (OC) C5) (C6 = CC = C (OC) C6) C7 = cc = cc = c7
Inchi
Inchi = 1s / c39h37n5o7 / c1-47-29-18-14-27 (15-12-8-5-9-18-26,28-16-20-30 (48-2) 21-17-28) 50-17-31-33 (45) 34 (49-3) 38 (51- 31) 44-24-42-32-35 (42) 44) 43-37 (46) 25-10-6-4-7-11-25/31,33-34,38,35h, 22h2,1-3h3, (H, 40,41,43,46) / T31-, 33-,
34-, 38- / M1 / S1
Keyeya Inchi
SarhDaQoZNkzcc-cjegosrcsa-N
1 navê din ji bo vê madeyê
N-Benzoyl-5'-O- [Bis (4-metoxyphenyl) Phenylmethyl] -2'-o-methyleDenosine (ACI)
Spectra peyda dibe
1h nmr
13C nmr
Gel
Taybetmendiyên berdest
Bedirî
Şîmyakî
Dendetî
Lipinski
Struktura têkildar
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 47800 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.63 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.16 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.23 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.23 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.18 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.79 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 64900 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 10600 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 3110 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 50200 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1.71 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 2.26 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 2.34 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 2.34 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 2.29 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1.88 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 68000 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 11200 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 3260 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 6.67 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 7.21 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.34 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.34 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 7.25 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 6.80 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 6.02 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 5.49 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.344 ± 0.723 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 2.7 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.2 x 10-5 G / L | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.7 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.8 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.8 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.8 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.8 x 10-6 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.4 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 9.6 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.7 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.9 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.4 x 10-6 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 3.9 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.8 x 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.4 x 10-9 mol / L | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 4.1 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 4.0 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 4.0 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 4.0 x 10-9 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 4.9 x 10-9 mol / L | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.4 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 8.3 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.8 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 4.9 x 10-9 mol / L | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 687.74 | ||
| pka | 7.87 ± 0.43 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 1.39 ± 0.10 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.32 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 518.5 ± 7.0 CM3 / MOL | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 12 | (1) ACD | |
| H qebûlkar | 12 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qedexe | 14 | (1) ACD | |
| logp | 7.344 ± 0.723 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 687.74 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 139 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
Spectra peyda dibe
13C nmr
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