Allyl (6R)-3-Deoxy-6-[(1R)-1,2-Dihydroxyethyl]-β-L-Erythro-Hex-2-Ulopyranosidonic Acid

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Properties Simple | Detailed

Formula C11H18O8
IUPAC Name (2r,4r,5r,6r)-2-allyloxy-6-[(1r)-1,2-dihydroxyethyl]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 278.256 g·mol−1
Heat of Formation -1432.3 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 315.65 Å 3
Surface Area 268.86 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4r,5r,6r)-2-allyloxy-6-[(1r)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-tetrahydropyrancarboxylic acid
  • (2r,4r,5r,6r)-2-allyloxy-6-[(1r)-1,2-dihydroxyethyl]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2r,4r,5r,6r)-6-[(1r)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-prop-2-enoxy-oxane-2-carboxylic acid
  • (2r,4r,5r,6r)-6-[(1r)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-prop-2-enoxyoxane-2-carboxylic acid
  • (3-deoxy-d-manno-oct-2-ulosonic acid)-2-o-allyl
  • kda
InChIKey LEEKAQBTVJRLOA-UEWQFTGXSA-N
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