Chemical Properties of 9H-purine, 2,6-difluoro-9-beta-d-xylofuranosyl-, 2',3',5'-triacetate (CAS 18354-15-9)

9H-purine, 2,6-difluoro-9-beta-d-xylofuranosyl-, 2',3',5'-triacetate

InChI
InChI=1S/C16H16F2N4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11+,12-,15?/m1/s1
InChI Key
FOGUBSQHDZGAOK-ORAFQZHNSA-N
Formula
C16H16F2N4O7
SMILES
CC(=O)OCC1OC(n2cnc3c(F)nc(F)nc32)C(OC(C)=O)C1OC(C)=O
Molecular Weight1
414.32
CAS
18354-15-9
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Physical Properties

Property Value Unit Source
ω 0.8373 Relay (1.0) Calculated Property
ΔfG° -646.52 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1369.94 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 134.40 kJ/mol Relay (1.0) Calculated Property
IE 9.01 eV Relay (1.0) Calculated Property
log10WS -2.90 Relay (1.0) Calculated Property
logPoct/wat 0.428 Crippen Calculated Property
McVol 258.170 ml/mol McGowan Calculated Property
Pc 1661.70 kPa Relay (1.0-beta) Calculated Property
Tboil 654.98 K Relay (1.0) Calculated Property
Tc 949.84 K Relay (1.0) Calculated Property
Tfus 412.45 K Relay (1.0) Calculated Property
Vc 0.995 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

[(3S,4r,5s)-4-acetyloxy-5-(acetyloxymethyl)-2-(2,6-diaminopurin-9-yl)oxolan-3-yl] acetate. 2',3'-Di-O-acetyladenosine, N-trimethylsilyl-, trimethylsilyl ether. N6-TFA-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-TFA. N6-TFA-2'-Deoxyadenosine, 3'-O-TFA, 5'-O-TBDMS. 2',3'-Di-O-acetyladenosine, trimethylsilyl ether. Guanosine, 2'-deoxy-. N6-acetyl-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-acetyl. inosine-5'-monophosphate, TMS. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, metho-oxime-TMS derivative. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Cytidine, etho-oxime-TMS derivative. Cytidine, buto-oxime-TMS derivative. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether.

Find more compounds similar to 9H-purine, 2,6-difluoro-9-beta-d-xylofuranosyl-, 2',3',5'-triacetate.

Sources

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