C41h51n5o8si Guanosine, 5'-o- [Bis (4-metoxyphenyl) Phenylmethyl] -2'-o - [(1,1- DimethylethSl] -N- (2-methyl-1-oxopropyl) - (9ci, ACI)
Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
Giraniya molekul | 769.96 | - |
Dendik (texmîn kirin) | 1.25 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
PKA (texmîn kirin) | 9.16 ± 0.20 | Temana herî acid: 25 ° C |
Smiles Canonical O = C1N = C (NC (= O) C (c) c) NC2 = C5 (cc = C (oc) C6 = C6) C (O) (c) (c) (c) (c) (c) (c) (c) (c) (c) (c)
Isomeric bişirîn
C (OC [C @ H] 1o [C @ H] ([C @ h] (O [) (c) (c) (c) (c) c) 1o) n2c3 = c (n = c2) c ( = O) n = c (nc (c) c) = O) n3) (c4 = cc = c (oc) c4) (c5 = cc = c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c41h51n5o8si / c1-25 (2) 36 (48) 45-32 (35) 45-34 (54-55) 40 (47) 5) 33 (47) 3 (53-38) 33-52-41 (2 6-13-11-10-12-14-19-27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28 / H10-2,24-25,31,33-34,38,47h, 23h2,1-9h3, (H2,43,44,45,
48,49) / T31-, 33-, 34-, 38- / M1 / S1
Keyeya Inchi
JmcnkjFOIJGYRG-cjegosrcsa-N
1 navê din ji bo vê madeyê
5'-o- [Bis (4-metoxyphenyl) Phenylmethyl] -2'-o - [(1,1-Dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl) Guanosine (ACI)
Spectra peyda dibe
1h nmr
13C nmr
Gel
Taybetmendiyên berdest |
Bedirî |
Şîmyakî |
Dendetî |
Lipinski |
Struktura têkildar |
Bedirî
Mal | Giranî | Rewş | Kanî |
Faktora BioconCentration | 1.38 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 3.53 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 4.18 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 4.26 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 4.26 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 4.26 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 4.21 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 3.77 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.86 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 33800 | 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 | 1.21 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 3.08 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 3.65 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 3.72 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 3.73 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 3.72 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 3.68 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Koc | 3.30 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 1.62 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 29600 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 7.22 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 7.63 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 7.70 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 7.71 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 7.71 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 7.71 | PH 6; Temp: 25 ° C | (1) ACD |
logd | 7.70 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 7.66 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.35 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.61 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 7.710 ± 0.709 | Temp: 25 ° C | (1) ACD |
Solubilityê dorpêçkirî ya girseyî | 2.7 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Solubility girseyî | 8.5 X 10-5 G / L | PH 1; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.3 x 10-5 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 2.8 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 2.7 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 2.7 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 2.7 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 2.8 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 6.2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.5 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 2.8 x 10-5 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
Solubility ya hundurîn a molar | 3.5 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Solubility molar | 1.1 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility molar | 4.3 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.6 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.5 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.5 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Solubility molar | 3.5 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.6 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility molar | 4.0 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility molar | 8.1 X 10-8 Mol / L | PH 9; Temp: 25 ° C | (1) ACD |
Solubility molar | 4.5 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.6 x 10-8 mol / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
Giraniya molekul | 769.96 | ||
pka | 9.16 ± 0.20 | Temana herî acid: 25 ° C | (1) ACD |
pka | 1.73 ± 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 | 1.25 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
Molar Volume | 615.5 ± 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 | 14 | (1) ACD | |
H qebûlkar | 13 | (1) ACD | |
H Donors | 3 | (1) ACD | |
H Donor / Qedexe | 16 | (1) ACD | |
logp | 7.710 ± 0.709 | Temp: 25 ° C | (1) ACD |
Giraniya molekul | 769.96 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
Mal | Giranî | Rewş | Kanî |
Qada pola polar | 155 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