Chemical Properties of 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate (CAS 19083-26-2)

9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate

InChI
InChI=1S/C30H33N4O9PS/c1-16-7-17(2)10-22(9-16)42-44(37,43-23-11-18(3)8-19(4)12-23)38-13-24-26(39-20(5)35)27(40-21(6)36)30(41-24)34-15-33-25-28(34)31-14-32-29(25)45/h7-12,14-15,24,26-27,30H,13H2,1-6H3,(H,31,32,45)
InChI Key
SESBEARIEIGTIF-UHFFFAOYSA-N
Formula
C30H33N4O9PS
SMILES
CC(=O)OC1C(COP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)OC(n2cnc3c(=S)[nH]cnc32)C1OC(C)=O
Molecular Weight1
656.64
CAS
19083-26-2
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Physical Properties

Property Value Unit Source
ω 1.2561 Relay (1.0) Calculated Property
ΔfG° -440.25 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1228.45 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 223.38 kJ/mol Relay (1.0) Calculated Property
IE 7.62 eV Relay (1.0) Calculated Property
log10WS -6.39 Relay (1.0) Calculated Property
logPoct/wat 5.284 Crippen Calculated Property
McVol 457.220 ml/mol McGowan Calculated Property
Pc 268.44 kPa Relay (1.0-beta) Calculated Property
Tboil 878.77 K Relay (1.0) Calculated Property
Tc 1272.80 K Relay (1.0) Calculated Property
Tfus 432.20 K Relay (1.0) Calculated Property
Vc 1.670 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Quinine, trimethylsilyl ether. inosine-5'-monophosphate, TMS. xanthosine-5'-monophosphate, TMS. AJMALINE, M(NOR-), AC. Norcodeine. Buprenorphine. 3-propionyl-morphine. Brucine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Xanthine riboside, TMS. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Neopine. TCN. Ergocristine. Paclitaxel.

Find more compounds similar to 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate.

Sources

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