Chemical Properties of 2-Amino-4,6-dihydroxypyrimidine, N,O,O'-tris(pentafluoropropionyl)-

2-Amino-4,6-dihydroxypyrimidine, N,O,O'-tris(pentafluoropropionyl)-

InChI
InChI=1S/C13H2F15N3O5/c14-8(15,11(20,21)22)4(32)31-7-29-2(35-5(33)9(16,17)12(23,24)25)1-3(30-7)36-6(34)10(18,19)13(26,27)28/h1H,(H,29,30,31,32)
InChI Key
ZAIGGKWWEMSTJZ-UHFFFAOYSA-N
Formula
C13H2F15N3O5
SMILES
O=C(Nc1nc(OC(=O)C(F)(F)C(F)(F)F)cc(OC(=O)C(F)(F)C(F)(F)F)n1)C(F)(F)C(F)(F)F
Molecular Weight1
565.15
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Physical Properties

Property Value Unit Source
ω 0.8654 Relay (1.0) Calculated Property
ΔfG° -3014.15 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -3894.52 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 104.66 kJ/mol Relay (1.0) Calculated Property
IE 10.33 eV Relay (1.0) Calculated Property
log10WS -8.40 Relay (1.0) Calculated Property
logPoct/wat 3.819 Crippen Calculated Property
McVol 243.210 ml/mol McGowan Calculated Property
Pc 1443.38 kPa Relay (1.0-beta) Calculated Property
Inp 1215.00 NIST
Tboil 510.33 K Relay (1.0) Calculated Property
Tc 737.90 K Relay (1.0) Calculated Property
Tfus 430.25 K Relay (1.0) Calculated Property
Vc 0.957 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2-Amino-4,6-dihydroxypyrimidine, N,O,O'-tris(heptafluorobutyryl)-. 2-Amino-4,6-dihydroxypyrimidine, N,O,O'-tris(trifluoroacetyl)-. Pimozide. 4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide. Folic Acid. N6-TFA-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-TFA. N6-TFA-2'-Deoxyadenosine, 3'-O-TFA, 5'-O-TBDMS. 13-Benzoyloxy-17-oxolupanine. vasicinone. Floricaline (otonecine-diacetyljacoline). Adenosine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate). Inosine, tetramethyl ether. Desacetyldoronine (otonecin-jaconine). (E)-N-Acetylanhydronornarceine. (Z)-N-Acetylanhydronornarceine.

Find more compounds similar to 2-Amino-4,6-dihydroxypyrimidine, N,O,O'-tris(pentafluoropropionyl)-.

Sources

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