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

5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-

InChI
InChI=1S/C15H13F6N5O5S/c1-32-2-5-7(30-12(27)14(16,17)18)8(31-13(28)15(19,20)21)11(29-5)26-4-25-6-9(22)23-3-24-10(6)26/h3-5,7-8,11H,2H2,1H3,(H2,22,23,24)
InChI Key
XIKNMXIIAMFOHZ-UHFFFAOYSA-N
Formula
C15H13F6N5O5S
SMILES
CSCC1OC(n2cnc3c(N)ncnc32)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F
Molecular Weight1
489.35
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Physical Properties

Property Value Unit Source
ω 0.8298 Relay (1.0) Calculated Property
ΔfG° -1190.06 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1808.85 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 131.09 kJ/mol Relay (1.0) Calculated Property
IE 8.77 eV Relay (1.0) Calculated Property
log10WS -4.42 Relay (1.0) Calculated Property
logPoct/wat 1.617 Crippen Calculated Property
McVol 270.050 ml/mol McGowan Calculated Property
Pc 1286.85 kPa Relay (1.0-beta) Calculated Property
Inp 2341.80 NIST
Tboil 674.99 K Relay (1.0) Calculated Property
Tc 966.75 K Relay (1.0) Calculated Property
Tfus 407.70 K Relay (1.0) Calculated Property
Vc 0.991 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Ajmaline. Strychnine. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Galantamin. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). 3-O,6-O,N-Triacetylnormorphine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 3-propionyl-morphine. Paclitaxel. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Dihydroergokryptine. Benzylmorphine.

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

Sources

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