Chemical Properties of 5'-S-Methyl-5'-thioadenosine, N,O,O'-tris(trifluoroacetyl)-

5'-S-Methyl-5'-thioadenosine, N,O,O'-tris(trifluoroacetyl)-

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InChI
InChI=1S/C17H12F9N5O6S/c1-38-2-5-7(36-13(33)16(21,22)23)8(37-14(34)17(24,25)26)11(35-5)31-4-29-6-9(27-3-28-10(6)31)30-12(32)15(18,19)20/h3-5,7-8,11H,2H2,1H3,(H,27,28,30,32)
InChI Key
YBYJEAFJEFYNQU-UHFFFAOYSA-N
Formula
C17H12F9N5O6S
SMILES
CSCC1OC(n2cnc3c(NC(=O)C(F)(F)F)ncnc32)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F
Molecular Weight1
585.36
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Physical Properties

Property Value Unit Source
log10WS -5.76 Crippen Calculated Property
logPoct/wat 2.536 Crippen Calculated Property
McVol 305.110 ml/mol McGowan Calculated Property
Inp [2364.00; 2364.00]   Show Hide
Inp 2364.00 NIST
Inp 2364.00 NIST

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 5'-S-Methyl-5'-thioadenosine, N,O,O'-tris(trifluoroacetyl)-.

Sources

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