Chemical Properties of (S)-2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid (CAS 5988-19-2)

(S)-2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid

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InChI
InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m1/s1
InChI Key
UFIVEPVSAGBUSI-UWTATZPHSA-N
Formula
C5H6N2O4
SMILES
O=C(O)C1CC(O)=NC(O)=N1
Molecular Weight1
158.11
CAS
5988-19-2
Other Names
  • 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid- (L)-
  • L-5,6-Dihydroorotic acid
  • Orotic acid, dihydro-, L-
Sources

Physical Properties

Property Value Unit Source
Δf -249.49 kJ/mol Joback Calculated Property
Δfgas -426.92 kJ/mol Joback Calculated Property
Δfus 26.35 kJ/mol Joback Calculated Property
Δvap 98.26 kJ/mol Joback Calculated Property
logPoct/wat -0.29 Crippen Calculated Property
Pc 8116.22 kPa Joback Calculated Property
Tboil 779.44 K Joback Calculated Property
Tc 982.94 K Joback Calculated Property
Tfus 555.52 K Joback Calculated Property
Vc 0.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 316.13 J/mol×K 779.44 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol) 3
=C< (ring) 2
-N= (ring) 2
>C=O (nonring) 1
>CH- (ring) 1
-CH2- (ring) 1

Similar Compounds

Hydantoin-5-acetic acid, TMS. N-Acetylaspartylglutamic acid, tris(trimethylsilyl) ester. 5,6-Dihydrouracil, TMS. 5,6-Dihydrothymine, TMS. ACETYLASPARTIC ACID triTMS. Aspartic acid, N-acetyl-, diethyl ester, L-. Asn, N-isoBOC TBDMS. L-Homoserine lactone, N-trifluoroacetyl-. Ala-Thr, trimethylsilyl ether, trimethylsilyl ester. L-Alanine, N-[N-(N-L-alanyl-L-alanyl)-L-alanyl]-. L-Homoserine lactone, N-acetyl-. Pentanedioic acid, 2-octanoylamino, dimethyl ester. l-Leucine, N-(3-cyclopentylpropionyl)-, methyl ester. l-Valine, N-caproyl-, methyl ester. 2-Pyrrolidinecarboxylic acid-5-oxo-, ethyl ester.

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