Chemical Properties of 5'-Inosinic acid, dibutyl ester (CAS 15923-57-6)

5'-Inosinic acid, dibutyl ester

InChI
InChI=1S/C18H29N4O8P/c1-3-5-7-27-31(26,28-8-6-4-2)29-9-12-14(23)15(24)18(30-12)22-11-21-13-16(22)19-10-20-17(13)25/h10-12,14-15,18,23-24H,3-9H2,1-2H3,(H,19,20,25)
InChI Key
KQONLLMXDCOJTN-UHFFFAOYSA-N
Formula
C18H29N4O8P
SMILES
CCCCOP(=O)(OCCCC)OCC1OC(n2cnc3c(=O)[nH]cnc32)C(O)C1O
Molecular Weight1
460.42
CAS
15923-57-6
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Physical Properties

Property Value Unit Source
ω 1.1793 Relay (1.0) Calculated Property
ΔfG° -445.77 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1241.71 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 173.81 kJ/mol Relay (1.0) Calculated Property
IE 9.08 eV Relay (1.0) Calculated Property
log10WS -2.82 Relay (1.0) Calculated Property
logPoct/wat 1.015 Crippen Calculated Property
McVol 322.040 ml/mol McGowan Calculated Property
Pc 1113.15 kPa Relay (1.0-beta) Calculated Property
Tboil 798.29 K Relay (1.0) Calculated Property
Tc 1076.91 K Relay (1.0) Calculated Property
Tfus 386.64 K Relay (1.0) Calculated Property
Vc 1.243 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 3',5'-cyclic phosphate. Adenosine 3',5'-cyclic monophosphate. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. inosine-5'-monophosphate, TMS. xanthosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Quinine, trimethylsilyl ether. 9H-purine, 6-amino-2-(methylamino)-9-beta-d-ribofuranosyl-. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-isopropylsilyl. Normorphine TMS. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Ajmaline.

Find more compounds similar to 5'-Inosinic acid, dibutyl ester.

Sources

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