Chemical Properties of 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 3',5'-cyclic phosphate (CAS 20096-88-2)

9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 3',5'-cyclic phosphate

InChI
InChI=1S/C10H11N4O6PS/c15-6-7-4(1-18-21(16,17)20-7)19-10(6)14-3-13-5-8(14)11-2-12-9(5)22/h2-4,6-7,10,15H,1H2,(H,16,17)(H,11,12,22)
InChI Key
JTFLPNUVMQRDAX-UHFFFAOYSA-N
Formula
C10H11N4O6PS
SMILES
O=P1(O)OCC2OC(n3cnc4c(=S)[nH]cnc43)C(O)C2O1
Molecular Weight1
346.26
CAS
20096-88-2
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.8848 Relay (1.0) Calculated Property
ΔfG° -323.26 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -759.73 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 194.12 kJ/mol Relay (1.0) Calculated Property
IE 8.62 eV Relay (1.0) Calculated Property
log10WS -1.93 Relay (1.0) Calculated Property
logPoct/wat -0.219 Crippen Calculated Property
McVol 203.070 ml/mol McGowan Calculated Property
Pc 2528.85 kPa Relay (1.0-beta) Calculated Property
Tboil 756.67 K Relay (1.0) Calculated Property
Tc 1152.86 K Relay (1.0) Calculated Property
Tfus 501.57 K Relay (1.0) Calculated Property
Vc 0.786 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

5'-Inosinic acid, dibutyl ester. Adenosine 3',5'-cyclic monophosphate. xanthosine-5'-monophosphate, TMS. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. inosine-5'-monophosphate, TMS. Quinine, trimethylsilyl ether. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. 9H-purine, 6-amino-2-(methylamino)-9-beta-d-ribofuranosyl-. 6-acetyl-3-propionyl-morphine. Xanthine riboside, TMS. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. AJMALINE, M(DIHYDRO-), AC. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. Diacetylmorphine. Ethylmorphine, trimethylsilyl ether.

Find more compounds similar to 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 3',5'-cyclic phosphate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.