Chemical Properties of 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA

1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA

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InChI
InChI=1S/C15H19F3N4O4/c1-9(26-13(24)15(16,17)18)6-4-5-7-22-12(23)10-11(19-8-20(10)2)21(3)14(22)25/h8-9H,4-7H2,1-3H3
InChI Key
ZQNQBJNITRBVFR-UHFFFAOYSA-N
Formula
C15H19F3N4O4
SMILES
CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)C(F)(F)F
Molecular Weight1
376.33
Other Names
  • Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl, TFA
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Physical Properties

Property Value Unit Source
log10WS -6.87 Crippen Calculated Property
logPoct/wat 1.098 Crippen Calculated Property
McVol 247.700 ml/mol McGowan Calculated Property
Inp [2291.00; 2300.00]   Show Hide
Inp 2291.00 NIST
Inp 2300.00 NIST

Similar Compounds

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

Find more compounds similar to 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA.

Sources

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