Chemical Properties of 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate (CAS 106488-32-8)

1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate

InChI
InChI=1S/C32H26N4O7S/c1-44-28-23-17-35-36(27(23)33-19-34-28)29-26(43-32(39)22-15-9-4-10-16-22)25(42-31(38)21-13-7-3-8-14-21)24(41-29)18-40-30(37)20-11-5-2-6-12-20/h2-17,19,24-26,29H,18H2,1H3
InChI Key
YHAIOCHOFVWVOS-UHFFFAOYSA-N
Formula
C32H26N4O7S
SMILES
CSc1ncnc2c1cnn2C1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1
Molecular Weight1
610.64
CAS
106488-32-8
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Physical Properties

Property Value Unit Source
ω 1.1073 Relay (1.0) Calculated Property
ΔfG° 15.04 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -497.26 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 201.68 kJ/mol Relay (1.0) Calculated Property
IE 8.50 eV Relay (1.0) Calculated Property
log10WS -5.86 Relay (1.0) Calculated Property
logPoct/wat 4.754 Crippen Calculated Property
McVol 425.140 ml/mol McGowan Calculated Property
Pc 763.92 kPa Relay (1.0-beta) Calculated Property
Tboil 880.54 K Relay (1.0) Calculated Property
Tc 1336.37 K Relay (1.0) Calculated Property
Tfus 405.73 K Relay (1.0) Calculated Property
Vc 1.544 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

risperidone. Ajmaline. acetylepibaptifoline. Strychnine. 6-O,N-Diacetylnorcodeine. Galantamin. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. 3-O,6-O,N-Triacetylnormorphine. Heptafluorobutyryl-codeine. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Neopine. 3-propionyl-morphine. Paclitaxel. [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»)-. Benzylmorphine.

Find more compounds similar to 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

Sources

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