Chemical Properties of 9H-purine-6(1h)-thione, 1-methyl-9-beta-d-ribofuranosyl- (CAS 26001-41-2)

9H-purine-6(1h)-thione, 1-methyl-9-beta-d-ribofuranosyl-

InChI
InChI=1S/C11H14N4O4S/c1-14-3-13-9-6(11(14)20)12-4-15(9)10-8(18)7(17)5(2-16)19-10/h3-5,7-8,10,16-18H,2H2,1H3/t5-,7-,8-,10?/m1/s1
InChI Key
KAFKQYRSRIAGNP-NCYAXNGYSA-N
Formula
C11H14N4O4S
SMILES
Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=S
Molecular Weight1
298.32
CAS
26001-41-2
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Physical Properties

Property Value Unit Source
ω 0.9278 Relay (1.0) Calculated Property
ΔfG° -34.86 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -344.79 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 175.02 kJ/mol Relay (1.0) Calculated Property
IE 8.27 eV Relay (1.0) Calculated Property
log10WS -1.75 Relay (1.0) Calculated Property
logPoct/wat -0.889 Crippen Calculated Property
McVol 195.820 ml/mol McGowan Calculated Property
Pc 2726.31 kPa Relay (1.0-beta) Calculated Property
Tboil 729.24 K Relay (1.0) Calculated Property
Tc 1113.57 K Relay (1.0) Calculated Property
Tfus 473.04 K Relay (1.0) Calculated Property
Vc 0.736 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

9H-purine, 6-amino-2-(methylamino)-9-beta-d-ribofuranosyl-. 5'-Inosinic acid, dibutyl ester. Adenosine 3',5'-cyclic monophosphate. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 3',5'-cyclic phosphate. Guanosine, 2'-deoxy-. Guanosine. Adenosine, 2-chloro-. N6,N6-Dimethyladenosine. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. xanthosine-5'-monophosphate, TMS. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS.

Find more compounds similar to 9H-purine-6(1h)-thione, 1-methyl-9-beta-d-ribofuranosyl-.

Sources

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