Chemical Properties of 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA

1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA

InChI
InChI=1S/C17H23F3N4O4/c1-3-8-23-11-21-13-12(23)14(25)24(16(27)22(13)2)9-6-4-5-7-10-28-15(26)17(18,19)20/h11H,3-10H2,1-2H3
InChI Key
WPJYXKGVJKQNTC-UHFFFAOYSA-N
Formula
C17H23F3N4O4
SMILES
CCCn1cnc2c1c(=O)n(CCCCCCOC(=O)C(F)(F)F)c(=O)n2C
Molecular Weight1
404.38
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Physical Properties

Property Value Unit Source
log10WS -3.72 Relay (1.0) Calculated Property
logPoct/wat 1.973 Crippen Calculated Property
McVol 275.880 ml/mol McGowan Calculated Property
Inp [2445.00; 2445.00]   Show Hide
Inp 2445.00 NIST
Inp 2445.00 NIST
Tboil 673.83 K Relay (1.0) Calculated Property
Tfus 377.96 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy 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

1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl, TMS. 1-(5',6'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. erythro-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl. Pentifylline. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Cilostazol. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA.

Sources

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