4-O-(1-Carboxyethyl)-6-Deoxy-L-Mannose

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Properties Simple | Detailed

Formula C9H16O7
IUPAC Name (2s)-2-[(1r,2r,3s)-2,3-dihydroxy-1-[(1r)-1-hydroxyethyl]-4-oxo-butoxy]propanoic acid
Molecular Mass 236.219 g·mol−1
Heat of Formation -1337.2 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 270.92 Å 3
Surface Area 234.88 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
InChIKey SHCQKCKKXMAWFD-OZRXBMAMSA-N
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Elements H C O