Chemical Properties of 4-amino-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

InChI
InChI=1S/C9H12FN3O3/c10-5-3-8(16-6(5)4-14)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4H2,(H2,11,12,15)
InChI Key
HNSUDSIHCJEYQG-UHFFFAOYSA-N
Formula
C9H12FN3O3
SMILES
Nc1ccn(C2CC(F)C(CO)O2)c(=O)n1
Molecular Weight1
229.21
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Physical Properties

Property Value Unit Source
ω 0.7653 Relay (1.0) Calculated Property
ΔfG° -148.67 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -630.37 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 128.07 kJ/mol Relay (1.0) Calculated Property
IE 8.95 eV Relay (1.0) Calculated Property
log10WS -1.18 Aq. Solubility Prediction
logPoct/wat -0.557 Crippen Calculated Property
McVol 152.370 ml/mol McGowan Calculated Property
Pc 3090.94 kPa Relay (1.0-beta) Calculated Property
Tboil 638.94 K Relay (1.0) Calculated Property
Tc 931.42 K Relay (1.0) Calculated Property
Tfus 454.42 K Relay (1.0) Calculated Property
Vc 0.556 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2',3'-Di-O-acetyladenosine, N-trimethylsilyl-, trimethylsilyl ether. 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. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Cytidine, etho-oxime-TMS derivative. Cytidine, buto-oxime-TMS derivative. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. guanosine, TMS. guanosine-2'(3')-monophosphate, TMS. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. N6-TBDMS-Adenosine, 2',3',5'-tris-O-TBDMS. Guanine riboside, TMS. N6-TFA-2'-Deoxyadenosine, 3'-O-TFA, 5'-O-TBDMS. N6-TMS-2'-Deoxyadenosine, 3'-O-acetyl, 5'-O-TBDMS.

Find more compounds similar to 4-amino-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Sources

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