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

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

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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 -6.15 Crippen 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

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. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Brucine. TCN.

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

Sources

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