4,6-O-[(1S)-1-Carboxyethylidene]-β-D-Mannopyranose

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Properties Simple | Detailed

Formula C9H14O8
IUPAC Name (2s,4ar,6r,7s,8r,8as)-6,7,8-trihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
Molecular Mass 250.203 g·mol−1
Heat of Formation -1449.3 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 259.04 Å 3
Surface Area 234.99 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4ar,6r,7s,8r,8as)-6,7,8-trihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
  • (4ar,6r,7s,8r,8as)-hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid
  • 46m
  • [4,6-o-(1-carboxyethylidene)-beta-d-mannose]
InChIKey QVVFNJUJKXWFAU-BDIBXJNUSA-N
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