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

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

PDF Excel Molecule Calculator
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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
log10WS -7.35 Crippen Calculated Property
logPoct/wat 1.182 Crippen Calculated Property
McVol 288.630 ml/mol McGowan Calculated Property
Inp 2259.00 NIST

Similar Compounds

erythro-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1-(5',6'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Adenosine, 2'-deoxy-N-(trimethylsilyl)-3'-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. 2'-Deoxyinosine, tris(tert-butyldimethylsilyl) derivative. Hydromorphone, trimethylsilyl ether. Codeine-propionyl. cis-1,2-Indanediol, ferrocenylboronate. Ajmaline. Galantamin. 3-propionyl-morphine.

Find more compounds similar to threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.