3,4-O-[(1R)-1-Carboxyethylidene]-β-D-Galactopyranose

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Properties Simple | Detailed

Formula C9H14O8
IUPAC Name (2s,3as,4r,6r,7r,7ar)-6,7-dihydroxy-4-(hydroxymethyl)-2-methyl-4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acid
Molecular Mass 250.203 g·mol−1
Heat of Formation -1447.8 ± 16.7 kJ·mol−1
Dipole Moment 1.25 ± 1.08 D
Volume 269.64 Å 3
Surface Area 239.92 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3as,4r,6r,7r,7ar)-6,7-dihydroxy-2-methyl-4-methylol-4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-2-carboxylic acid
  • (2s,3as,4r,6r,7r,7ar)-6,7-dihydroxy-4-(hydroxymethyl)-2-methyl-4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-2-carboxylic acid
  • 3,4-pydgal
  • 3,4-pyruvylated d-galactose
  • 3,4-pyruvylated galactose
  • beta-d-galactopyranose, 3,4-o-(1-carboxyethylidene)-, (s)-
CAS Number(s)
  • 82556-10-3
InChIKey KLSAAUGREIROIS-RQXIQXTJSA-N
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