C50h58n7o9p adenosine, n-benzoyl-5 '-o- [4-metoxyphenyl) phenylmethyl] -2' - O- (2-metohoxethyl n, n-bisoethyl n, n-bis
Hejmara Registry
251647-53-7
H302
Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
Giraniya molekul | 932.01 | - |
PKA (texmîn kirin) | 7.87 ± 0.43 | Temana herî acid: 25 ° C |
Hespên Canonîkî
N # CCHOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (C6 = 5C = CC = C7 = C6) C7 = C7) (c (c) c) (c) c
Isomeric bişirîn
C (OC [C @@ H] 1 [C @@ h] (Op (C (C) C) (C) C) (C @@ h] = C (NC) C4 = CC = CN3) (C5) = Cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7
Inchi
Inchi = 1s / c50h58n7o9p / c1-34 (2) 57 (35 (3) 4) 67 (64-28-14-27-51) 66-44-42 (37-18-37,38-18-37,48-19-23-40 (60-6) 24-20-38) 3 9-21-25-41 (61-7) 26-49 (45 (44) 62-30-33-54-43-36-53-43-46 (53) 56) 55-48 (58) 36-15-36 / H8-13,15-26, 32-35,42,44-45,49h, 14,28-31h2,1-7h3, (H, 52,53,55,58) / T42-, 44-, 45-, 49-, 67? / M1 / S1
Keyeya Inchi
VpbybqbhlYrlhg-hdmawcrfsa-N
16 navên din ên ji bo vê madeyê
Adenosine,N-benzoyl-5 '-O- [BIS (4-Methoxyphenyl) Phenylmethyl] -2 '-O- (2-Methoxethyl) -, 3 '- [2-cyanoethyl bis (1-methylethyl)
Phosphoramidite] (9CI); 16: pn: US20030211606 Rûpel: 19 Sequence îdîa; 16: pn: US20030212017 Rûpel: 20 Sequence îdîa; 17: pn: US20040005569 Rûpel: 22 Sequence îdîa kir; 19: pn: US20040006030 Rûpel: 23 rêziknameya îdîa; 19: pn: US20040014047
Rûpel: 21 Sequence îdîa; 19: pn: US20040014049 Rûpel: 21 Sequence îdîa; 20: pn: US20040005570 Rûpel: 20 îdîa kir
dor; 20: pn: US20040014048 Rûpel: 21 Sequence îdîa; 20: pn: US20040014050 Rûpel: 20 rêzika îdîa; 21: pn: u
S20040005565 Rûpel: 17- 22 Sequence îdîa kir; 21: pn: US20040014051 Rûpel: 23 rêziknameya îdîa; 22: pn: US20040014699 Rûpel: 20 rêzika îdîa; 23: pn: US20040006029 Rûpel: 23 Sequence îdîa; 23: pn: WO03106645 Rûpel: 73 rêziknameya îdîa; 94: p n: US20040005707 Rûpel: 20 Sequence îdîa kir
Spectra peyda dibe
1 H NMR
13 C NMR
Hetero nmr
Taybetmendiyên berdest
Bedirî
Şîmyakî
Lipinski
Struktura têkildar
Mal | Giranî | Rewş | Kanî |
Faktora BioconCentration | 2680 | PH 1; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 71500 | PH 2; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 7.21 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.00 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 8.48 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.39 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 40300 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Rewş | Kanî |
Koc | 1360 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 36300 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 3.66 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 1.13 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Koc | 1.42 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 1.42 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.17 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 4.30 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 70800 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 20500 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 5.77 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 7.20 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 8.20 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 8.69 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 8.79 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 8.79 | PH 6; Temp: 25 ° C | (1) ACD |
logd | 8.71 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 8.27 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.49 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.95 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
Solubilityê dorpêçkirî ya girseyî | 5.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.051 G / L | PH 1; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.9 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.9 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 6.0 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.8 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.8 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.8 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.6 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 9.3 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.6 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.7 x 10-5 g / l | Avêtina avê ya unbuffered 6.97; Temp: 25 ° C | (1) ACD |
Solubility ya hundurîn a molar | 5.8 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Solubility molar | 5.5 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility molar | 2.0 x 10-6 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Solubility molar | 2.0 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility molar | 6.4 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.1 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.1 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility molar | 6.2 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.7 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.0 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.9 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility molar | 6.1 x 10-8 mol / l | Avêtina avê ya unbuffered 6.97; Temp: 25 ° C | (1) ACD |
Giraniya molekul | 932.01 | ||
pka | 7.87 ± 0.43 | Temana herî acid: 25 ° C | (1) ACD |
pka | 3.45 ± 0.70 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Rewş | Kanî |
Bonds rotatable ya azad | 22 | (1) ACD | |
H qebûlkar | 16 | (1) ACD | |
H Donors | 1 | (1) ACD | |
H Donor / Qedexe | 17 | (1) ACD | |
logp | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
Giraniya molekul | 932.01 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Çavkaniya şertê |
Qada pola polar | 187 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1 H NMR
13 C NMR
Sourceavkaniya Daxuyaniya Koda | |
H302 zirarê bide hêşîn | Ajansa Kîmyewî ya Ewropî (Echa) Klasîk & Labeling Inventory - Klasîk û nîşankirin û nîşankirin - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (ECHA) Klasîkirina & Labeling Inventory - Klasîkirina Notified û Labeling - Nîşaneyên herî giran |