4-Amino-1-(β-D-Glucopyranuronosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H13N3O7+
IUPAC Name (2s,3s,4s,5r,6r)-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 287.226 g·mol−1
Heat of Formation -1133.6 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 303.09 Å 3
Surface Area 271.89 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-(4-amino-2-keto-pyrimidin-1-yl)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-(4-amino-2-oxo-1-pyrimidinyl)-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-(4-amino-2-oxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 1-(beta-d-glucopyranosyluronic acid)cytosine
  • beta-d-glucopyranuronic acid, 1-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1-deoxy-
  • pentopyranic acid
CAS Number(s)
  • 59862-05-4
InChIKey CHKIQPXDGYGCHW-YOWKYNACSA-N
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