Chemical Properties of 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate (CAS 19083-26-2)

9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate

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InChI
InChI=1S/C30H33N4O9PS/c1-16-7-17(2)10-22(9-16)42-44(37,43-23-11-18(3)8-19(4)12-23)38-13-24-26(39-20(5)35)27(40-21(6)36)30(41-24)34-15-33-25-28(34)31-14-32-29(25)45/h7-12,14-15,24,26-27,30H,13H2,1-6H3,(H,31,32,45)
InChI Key
SESBEARIEIGTIF-UHFFFAOYSA-N
Formula
C30H33N4O9PS
SMILES
CC(=O)OC1C(COP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)OC(n2cnc3c(=S)[nH]cnc32)C1OC(C)=O
Molecular Weight1
656.64
CAS
19083-26-2

Physical Properties

Property Value Unit Source
log10WS -10.53 Crippen Calculated Property
logPoct/wat 5.284 Crippen Calculated Property
McVol 457.220 ml/mol McGowan Calculated Property

Similar Compounds

xanthosine-5'-monophosphate, TMS. Quinine, trimethylsilyl ether. inosine-5'-monophosphate, TMS. Benzylmorphine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Hydromorphone, tert-butyldimethylsilyl ether. Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

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