Chemical Properties of Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl

Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl

InChI
InChI=1S/C15H24N4O3/c1-4-8-18-13-12(17(3)10-16-13)14(21)19(15(18)22)9-6-5-7-11(2)20/h10-11,20H,4-9H2,1-3H3
InChI Key
CFWGPJYVEQHOKP-UHFFFAOYSA-N
Formula
C15H24N4O3
SMILES
CCCn1c(=O)n(CCCCC(C)O)c(=O)c2c1ncn2C
Molecular Weight1
308.38
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Physical Properties

Property Value Unit Source
IE 8.26 eV Relay (1.0) Calculated Property
log10WS -1.61 Relay (1.0) Calculated Property
logPoct/wat 0.858 Crippen Calculated Property
McVol 240.820 ml/mol McGowan Calculated Property
Inp 2575.00 NIST
Tfus 414.84 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl, TMS. 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. Pentifylline. 1-(5',6'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1-(6'-oxoheptyl)-3,7-dimethylxanthine. Adenosine, 2'-deoxy-N-(trimethylsilyl)-3'-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. erythro-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS.

Find more compounds similar to Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl.

Sources

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