C43H55N4O10P URIDINE, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -o- (2-methox-anthyl)-5-methyl-, 3 ′-[2-cyanoethyl n (aci) ffasthyl (1-mosphyl
Rhif Cofrestrfa CAS
163878-63-5
H302
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 818.89 | - |
PKA (a ragwelir) | 9.55 ± 0.10 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd
N#CCCOP (OC1C (OC (N2C = C (C (= O) NC2 = O) C) C1OcCOC) COC (C = 3c = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C (oc) c = c) n (c
Gwenau isomerig
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C (C) C) C (C) C) OCCC#N) [C @@ H] (OCCOC) [C @@ H] (O1) N2C (= O) NC (= O) C (C) = C) = C2) (C3 = C = C) = C (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1s/c43h55n4o10p/c1-29 (2) 47 (30 (3) 4) 58 (55-24-12-23-44) 57-38-37 (56-41 (39 (38) 53-26-26-25-50-6) 46) 46 46 8-54-43 (32-13-10-9-11-14-32,33-15-19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34/H9-11,11,13-22,27,29-33,13, 12421H, 124-242 1-8H3, (H, 45,48,49)/T37-, 38-, 39-, 41-, 58?/M1/S1
Allwedd inchi
YfrrkzDUdUdxHjnc-KZQAAKllSA-N
17 ENW arall ar gyfer y sylwedd hwn
Uridine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-(2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) ffosffor
amidite] (9ci); 10: PN: US20030212017 Tudalen: 18 Hawliedig RNA; 11: PN: US20030211606 Tudalen: 18 Hawliedig RNA; 13: PN: US20040
005569 Tudalen: 21 honnodd RNA; 13: PN: US20040006030 Tudalen: 22 Hawliedig RNA; 13: PN: US20040014048 Tudalen: 19 Hawliedig RNA; 13: PN: US20040014049 Tudalen: 19 Hawliedig RNA; 14: PN: US20030198965 Tudalen: 19 Hawliedig RNA; 14: PN: US20040005565 Tudalen: 17- 22 Hawliedig RNA; 14: PN: US20040005570 Tudalen: 19 Hawliedig RNA; 14: PN: US20040014047 Tudalen: 19 Hawliedig RNA; 14: PN: US20040
014699 Tudalen: 19 honnodd RNA; 15: PN: US20040014050 Tudalen: 19 Hawliedig RNA; 15: PN: US20040014051 Tudalen: 21 Hawliedig RNA; 15:
PN: WO03106645 Tudalen: 69 Hawliedig RNA; 16: PN: US20040006029 Tudalen: 22 Hawliedig RNA; 87: PN: US20040005707 Tudalen: 19 Hawliedig RNA
Sbectra ar gael
1 h nmr
13 C NMR
Hetero nmr
Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 348 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2810 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 21100 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 63100 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 78800 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 80800 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 80800 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 78800 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 63400 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 21800 | 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)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 487 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 3940 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 29600 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Koc | 88400 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 1.10 x 105 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 1.13 x 105 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 1.13 x 105 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Koc | 1.10 x 105 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Koc | 88800 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Koc | 30600 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | 4.39 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | 5.30 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | 6.18 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 6.65 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 6.75 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 6.76 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 6.76 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 6.75 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 6.65 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 6.19 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 6.761 ± 0.669 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 2.0 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 0.046 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.7 x 10-3 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 7.6 x 10-4 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.5 x 10-4 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.0 x 10-4 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.0 x 10-4 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.0 x 10-4 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.0 x 10-4 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.5 x 10-4 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 7.4 x 10-4 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.0 x 10-4 g/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 2.4 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.6 x 10-5 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 7.0 x 10-6 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd molar | 9.3 x 10-7 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.1 x 10-7 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.5 x 10-7 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.4 x 10-7 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.4 x 10-7 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.5 x 10-7 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.1 x 10-7 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 9.0 x 10-7 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.4 x 10-7 mol/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 818.89 | ||
PKA | 9.55 ± 0.10 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
PKA | 3.45 ± 0.70 | 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)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Bondiau rotatable yn rhydd | 21 | (1) ACD | |
H Derbynyddion | 14 | (1) ACD | |
H rhoddwyr | 1 | (1) ACD | |
H rhoddwr/derbynnydd swm | 15 | (1) ACD | |
logio | 6.761 ± 0.669 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 818.89 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Ffynhonnell Cyflwr |
Arwynebedd pegynol | 164 A2 | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1 h nmr
13 C NMR
Ffynhonnell Datganiad Perygl Cod | |
H302 niweidiol os caiff ei lyncu | Dosbarthiad a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) Rhestr - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Asiantaeth Gemegol Ewropeaidd (ECHA) Rhestr Dosbarthu a Labelu - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol |