Manzacidin D

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Properties Simple | Detailed

Formula C13H17N3O4
IUPAC Name (4s,6r)-1,6-dimethyl-6-(pyrrol-1-ium-2-ylium-2-carbonyloxymethyl)-4,5-dihydropyrimidine-4-carboxylic acid
Molecular Mass 279.292 g·mol−1
Heat of Formation -562.7 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 333.26 Å 3
Surface Area 288.09 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,6r)-1,6-dimethyl-6-(1h-pyrrol-2-ylcarbonyloxymethyl)-4,5-dihydropyrimidine-4-carboxylic acid
  • (4s,6r)-1,6-dimethyl-6-(1h-pyrrole-2-carbonyloxymethyl)-4,5-dihydropyrimidine-4-carboxylic acid
  • (4s,6r)-1,6-dimethyl-6-[[oxo-(1h-pyrrol-2-yl)methoxy]methyl]-4,5-dihydropyrimidine-4-carboxylic acid
  • (6r)-1,6-dimethyl-6-(pyrrol-2-ylcarbonyloxymethyl)-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
InChIKey CWAAMSALISYLDC-GXFFZTMASA-N
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