C47h60n7o10p Guanosine, 5 '-o- [4-Methoxyphenyl) Phenylmethyl] -2'-MethoXyethyl) -N-
Hejmara Registry
251647-55-9
H302
Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
Giraniya molekul | 914.00 | - |
PKA (texmîn kirin) | 9.16 ± 0.20 | Temana herî acid: 25 ° C |
Hespên Canonîkî
N # CCHOP (OC1C (OC (N2C = NC = 3C (= o) N = C (c) cc = c) (c5 = cc = c (c5) c6 = c6) c6 = c6) n (c (c) c) c (c) c
Isomeric bişirîn
C (OC [C @@ H] 1 [C @@ H] (OP (c (c) c) (C) C) (= o) n = C (NC (C) c) = O) N3) (c4 = cc = c (OC) C = C4) (c5 = cc = c (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1s / c47h60n7o10p / c1-30 (2) 43 (55) 52-46) 49-29-53 (42-27-26-57-7) 40-7 (62-25-13-24-48) 54 ( 31 (3) 4) 32 (5) 6) 38 (63-45) 28-61-47 (33-14-33,34-16-15-36 (58-34) 21-17-34) 35-18-34) 35-18-35 / H10-19-35 / H10-12,14-23,29-32,38 , 40-41,45h, 13,25-28h2,1-9h3, (H2,50,51,52,55,56) / T38-, 40-, 41-, 45-, 65? / M1 / S1
Keyeya Inchi
LadcdgebiQaau-Sbcraqivsa-N
17 Navên din ên ji bo vê madeyê
Guanosine, 5 '-O- [BIS (4-Methoxyphenyl) Phenylmethyl] -2 '-O- (2-metoxethyl) -N- (2-methyl-1-oxopropyl) -, 3 '- [2-cyanoethl bis (1- methylethyl) phosphoramidite] (9CI); 17: pn: US20030212017 Rûpel: 20 rêzika îdîa; 18: pn: US20030211606 Rûpel: 20
sekinandina sekinî; 19: pn: US20040005569 Rûpel: 22 rêziknameya îdîa; 21: pn: US20040006030 Rûpel: 23 rêziknameya îdîa; 21: pn: US20040014047 Rûpel: 21 Sequence îdîa; 21: pn: US20040014049 Rûpel: 21 Sequence îdîa; 22: pn: US20030198965 pag
E: 20 rêziknameya îdîa; 22: pn: US20040005570 Rûpel: 21 Sequence îdîa; 22: pn: US20040014048 Rûpel: 21 rêzika îdîa;
22: pn: US20040014050 Rûpel: 21 Sequence îdîa; 23: pn: US20040005565 Rûpel: 17- 22 rêza 22-ê îdîa kir; 23: pn: US20040
014051 Rûpel: 23 rêziknameya îdîa; 24: pn: US20040014699 Rûpel: 21 Sequence îdîa; 25: pn: US20040006029 Rûpel: 23 rêziknameya îdîa; 25: pn: WO03106645 Rûpel: 73 rêziknameya îdîa; 96: pn: US20040005707 Rûpel: 21 Sequence îdîa kir
Spectra peyda dibe
13 C NMR
Hetero nmr
Taybetmendiyên berdest
Bedirî
Şîmyakî
Lipinski
Struktura têkildar
Mal | Giranî | Rewş | Kanî |
Faktora BioconCentration | 121 | PH 1; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 2580 | PH 2; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 23500 | PH 3; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 71800 | PH 4; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 89800 | PH 5; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 92100 | PH 6; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 91300 | PH 7; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 82500 | PH 8; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 42200 | PH 9; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 7860 | 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 | 164 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 3480 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 31700 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 96900 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 1.21 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Koc | 1.24 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.23 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 1.11 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 56900 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 10600 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 3.95 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 5.28 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 6.24 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 6.73 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 6.82 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 6.83 | PH 6; Temp: 25 ° C | (1) ACD |
logd | 6.83 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 6.79 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 6.50 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 5.77 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 6.837 ± 0.764 | Temp: 25 ° C | (1) ACD |
Solubilityê dorpêçkirî ya girseyî | 4.4 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.34 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.016 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.7 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.7 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.6 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.4 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.5 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.9 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.0 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.2 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.5 x 10-4 g / l | Avêtina avê ya unbuffered 6.99; Temp: 25 ° C | (1) ACD |
Solubility ya hundurîn a molar | 4.8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Solubility molar | 3.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.7 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.9 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Solubility molar | 6.2 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.0 x 10-7 Mol / L | PH 5; Temp: 25 ° C | (1) ACD |
Solubility molar | 4.8 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility molar | 4.9 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.4 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.1 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.7 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility molar | 4.9 x 10-7 mol / l | Avêtina avê ya unbuffered 6.99; Temp: 25 ° C | (1) ACD |
Giraniya molekul | 914.00 | ||
pka | 9.16 ± 0.20 | 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 | 17 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Donor / Qedexe | 19 | (1) ACD | |
logp | 6.837 ± 0.764 | Temp: 25 ° C | (1) ACD |
Giraniya molekul | 914.00 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Çavkaniya şertê |
Qada pola polar | 203 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 |