Chemical Properties of 9H-purine, 6-chloro-9-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)- (CAS 39824-26-5)

9H-purine, 6-chloro-9-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-

InChI
InChI=1S/C13H15ClN4O4/c1-13(2)21-8-6(3-19)20-12(9(8)22-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3
InChI Key
VDYNZOUPLVQLRV-UHFFFAOYSA-N
Formula
C13H15ClN4O4
SMILES
CC1(C)OC2C(CO)OC(n3cnc4c(Cl)ncnc43)C2O1
Molecular Weight1
326.74
CAS
39824-26-5
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Physical Properties

Property Value Unit Source
ω 0.7615 Relay (1.0) Calculated Property
ΔfG° 7.12 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -441.84 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 128.52 kJ/mol Relay (1.0) Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
log10WS -2.61 Relay (1.0) Calculated Property
logPoct/wat 0.889 Crippen Calculated Property
McVol 209.030 ml/mol McGowan Calculated Property
Pc 2025.84 kPa Relay (1.0-beta) Calculated Property
Tboil 661.70 K Relay (1.0) Calculated Property
Tc 1016.85 K Relay (1.0) Calculated Property
Tfus 416.66 K Relay (1.0) Calculated Property
Vc 0.849 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Adenosine, 2',3'-O-(1-methylethylidene)-. Adenine, 9-(3,5-o-isopropylidene-beta-d-xylofuranosyl)-. 9H-purine, 2-amino-9-beta-d-ribofuranosyl-. 9H-purine-6-thiol, 2-fluoro-9-beta-d-ribofuranosyl-. Inosine, tetramethyl ether. 9H-purine, 2,6-dichloro-9-beta-d-ribofuranosyl-, 2',3',5'-triacetate. 2-Propanone, [(9-beta-d-ribofuranosyl-9h-purin-6-yl)thio]-. 9H-purine, 6-chloro-9-(beta-d-ribofuranosyl)-. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 3',5'-cyclic phosphate. 5'-Inosinic acid, dibutyl ester. Adenosine 3',5'-cyclic monophosphate. Adenosine, 2-chloro-. 9H-purine, 2,6-difluoro-9-beta-d-xylofuranosyl-, 2',3',5'-triacetate. [(3S,4r,5s)-4-acetyloxy-5-(acetyloxymethyl)-2-(2,6-diaminopurin-9-yl)oxolan-3-yl] acetate. N6,N6-Dimethyladenosine.

Find more compounds similar to 9H-purine, 6-chloro-9-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-.

Sources

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