C36H39N5O8 guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl- n- (2-methyl-1-oxopropyl)-(9ci, aci)
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 669.72 | - |
Dwysedd (a ragwelir) | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
PKA (a ragwelir) | 9.16 ± 0.20 | Mwyaf Temp Asidig: 25 ° C. |
Gwên Canonaidd O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (C (OC) C = C5) C6 = CC = CC = C (OC) C = C6) C (O) C (O O) C (O) (O)
Gwenau isomerig
C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C3 = C (N = C2) C (= O) N = C (NC (C (C) C) = O) N3) (C4 = CC = CC = C (oc) = C = C (C
= Cc = c6
Inchi
InChI=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35)37-20-41(31)34-30(47-5)29(42)27(49-34)19-48-36(22-9-7-6-8-10-2 2,23-11-15-25 (45-3) 16-12-23) 24-13-17-26 (46-4) 18-14-24/H6-18,20-21,27,29-30,34,42h, 19h2,1-5h3, (H2,38,40,43,43,43,43,43,43,43,
-/M1/S1
Allwedd inchi
Isqljogrnuqhjx-wifiacmtsa-n
1 enw arall ar y sylwedd hwn
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl-n- (2-methyl-1-oxopropyl) guanosine (ACI)
Eiddo ar gael |
Biolegol |
Gemegol |
Ddwysedd |
Lipinski |
Strwythur yn gysylltiedig |
Biolegol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 797 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2030 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2400 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2450 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2450 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2450 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2420 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2170 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1070 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 195 | Ph 10; TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Gemegol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 3020 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 7680 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 9100 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Koc | 9270 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Koc | 9290 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 9280 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 9170 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Koc | 8220 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Koc | 4050 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Koc | 737 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | 4.27 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | 4.68 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
log | 4.75 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 4.76 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 4.76 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 4.76 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 4.76 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 4.71 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 4.40 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 3.66 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 4.763 ± 0.722 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 3.1 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.4 x 10-4 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.7 x 10-4 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 x 10-4 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 x 10-4 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 x 10-4 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 x 10-4 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 x 10-4 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.5 x 10-4 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 7.4 x 10-4 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.9 x 10-3 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 x 10-4 g/l | Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 4.6 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.4 x 10-6 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.5 x 10-7 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 4.7 x 10-7 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 4.6 x 10-7 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 4.6 x 10-7 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 4.6 x 10-7 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 4.6 x 10-7 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.2 x 10-7 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.1 x 10-6 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.8 x 10-6 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd molar | 4.6 x 10-7 mol/l | Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 669.72 | ||
PKA | 9.16 ± 0.20 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
PKA | 1.73 ± 0.10 | Temp mwyaf sylfaenol: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Ddwysedd
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ddwysedd | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
Cyfaint molar | 494.4 ± 7.0 cm3/mol | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Bondiau rotatable yn rhydd | 12 | (1) ACD | |
H Derbynyddion | 13 | (1) ACD | |
H rhoddwyr | 3 | (1) ACD | |
H rhoddwr/derbynnydd swm | 16 | (1) ACD | |
logio | 4.763 ± 0.722 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 669.72 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Strwythur yn gysylltiedig
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Arwynebedd pegynol | 155 A2 | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1h nmr
13c nmr