Chemical Properties of threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA

threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA

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InChI
InChI=1S/C17H18F6N4O6/c1-8(32-13(29)16(18,19)20)9(33-14(30)17(21,22)23)5-4-6-27-12(28)10-11(24-7-25(10)2)26(3)15(27)31/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChI Key
IKPRVZPOMULNJV-IUCAKERBSA-N
Formula
C17H18F6N4O6
SMILES
CC(OC(=O)C(F)(F)F)C(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)C(F)(F)F
Molecular Weight1
488.34
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 1.182 Crippen Calculated Property

Similar Compounds

erythro-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. Pentifylline. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. Paraxanthine, n-propyl derivative. Proxyphylline. Theophylline, 7-(2,3-dihydroxypropyl)-. 1H-purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-. 1H-purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-. Etofylline. Etamiphyllin. FENETHYLLINE.

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