118 re36h44n2o8si Uridine, 5'-o- [Bis (4-metoxyphenyl) Phenylmethyl] -2'-o - [(1,1- Dimethylethyl) - (9ci, ACI)
Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
Giraniya molekul | 660.83 | - |
Dendik (texmîn kirin) | 1.24 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
PKA (texmîn kirin) | 9.39 ± 0.10 | Temana herî acid: 25 ° C |
Canonical Smiles O = C1C = CN (C (= o) N1) C2OC (cc = cc = c = c4) c5 = c5) c (o) c2o [si] (c) (c) (c) (c) (c) (c) (c)
Isomeric bişirîn
C (OC [C @ H] 1o [C @ H] (O [H] (O [= cc = C) (c3 = cc = c = c4) c5 = cc = cc = C5
Inchi
Inchi = 1s / c36h44n2o8si / c1-35 (2,7) 46-32-31 (40) 29 (45-33 (32) 38-21-34 (38) 41) 23-44-36 (24-11-9-8-10-12-24,25-13- 17-27 (42-4) 18-14-19-28 (43-5) 20-15-19/41-33,40h, 23H2,1-40, (H, 37,39,41) / T29-, 31- / 32-, 33- / M1 / S1
Keyeya Inchi
KvhqielphWjPsy-wxQjyuTRsa-N
2 navên din ên ji bo vê madeyê
5'-o - [Bis (4-metoxyphenyl) Phenylmethyl] -2'-o - [(1,1-Dimethylethyl) Dimethylsilyl] Uridine (ACI); 2'-o-tert-butyldimethylsilyl-5'-o- (4,4'- Dimethoxytrityl) Uridine
Spectra peyda dibe
1h nmr
13C nmr
Hetero nmr
Gel
Taybetmendiyên berdest |
Bedirî |
Şîmyakî |
Dendetî |
Lipinski |
Struktura têkildar |
Bedirî
Mal | Giranî | Rewş | Kanî |
Faktora BioconCentration | 2.21 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.21 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.21 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.21 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.21 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.21 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.20 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2.12 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.54 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 42500 | 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 | 2.33 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Koc | 2.32 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 2.23 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 1.62 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 44800 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 7.33 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 7.33 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 7.33 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 7.33 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 7.33 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 7.33 | PH 6; Temp: 25 ° C | (1) ACD |
logd | 7.33 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 7.32 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.18 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.62 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 7.334 ± 0.643 | Temp: 25 ° C | (1) ACD |
Solubilityê dorpêçkirî ya girseyî | 3.5 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.5 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.5 x 10-5 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.5 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.5 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.5 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.5 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.5 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.6 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.0 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 | 3.5 x 10-5 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
Solubility ya hundurîn a molar | 5.3 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Solubility molar | 5.3 x 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.3 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.3 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.3 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Solubility molar | 5.3 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.3 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.3 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.5 X 10-8 Mol / L | PH 8; Temp: 25 ° C | (1) ACD |
Solubility molar | 7.6 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 | 5.3 x 10-8 mol / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
Giraniya molekul | 660.83 | ||
pka | 9.39 ± 0.10 | Temana herî acid: 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 | 1.24 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
Molar Volume | 528.8 5. 5.0 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 | 13 | (1) ACD | |
H qebûlkar | 10 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Donor / Qedexe | 12 | (1) ACD | |
logp | 7.334 ± 0.643 | Temp: 25 ° C | (1) ACD |
Giraniya molekul | 660.83 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
Mal | Giranî | Rewş | Kanî |
Qada pola polar | 116 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr