(6R)-3-Deoxy-4-O-{(6R)-3-Deoxy-6-[(1R)-1,2-Dihydroxyethyl]-β-L-Erythro-Hex-2-Ulopyranonosyl}-6-[(1R)-1,2-Dihydroxyethyl]-β-L-Erythro-Hex-2-Ulopyranosonic Acid

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Properties Simple | Detailed

Formula C16H26O15
IUPAC Name (2r,4r,5r,6r)-2-[(2r,4r,5r,6r)-2-carboxy-6-[(1r)-1,2-dihydroxyethyl]-2,5-dihydroxy-tetrahydropyran-4-yl]oxy-6-[(1r)-1,2-dihydroxyethyl]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 458.369 g·mol−1
Heat of Formation -2805.6 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 485.47 Å 3
Surface Area 383.07 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4r,5r,6r)-2-[(2r,4r,5r,6r)-2-carboxy-6-[(1r)-1,2-dihydroxyethyl]-2,5-dihydroxy-oxan-4-yl]oxy-6-[(1r)-1,2-dihydroxyethyl]-4,5-dihydroxy-oxane-2-carboxylic acid
  • (2r,4r,5r,6r)-2-[(2r,4r,5r,6r)-2-carboxy-6-[(1r)-1,2-dihydroxyethyl]-2,5-dihydroxy-tetrahydropyran-4-yl]oxy-6-[(1r)-1,2-dihydroxyethyl]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2r,4r,5r,6r)-2-[(2r,4r,5r,6r)-2-carboxy-6-[(1r)-1,2-dihydroxyethyl]-2,5-dihydroxyoxan-4-yl]oxy-6-[(1r)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
  • (2r,4r,5r,6r)-2-[[(2r,4r,5r,6r)-2-carboxy-6-[(1r)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-tetrahydropyranyl]oxy]-6-[(1r)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-tetrahydropyrancarboxylic acid
  • 3-deoxy-d-manno-octulosonic acid disaccharide
  • 3-deoxyoctulosonic acid disaccharide
  • 3-deoxyoctulosonic acid-(alpha-2-4)-3-deoxyoctulosonic acid
  • 3-dodo
  • alpha-d-manno-2-octulopyranosonic acid, 3-deoxy-4-o-(3-deoxy-alpha-d-manno-2-oculopyranosonosyl)-, (5alpha,6beta)-
CAS Number(s)
  • 94722-74-4
InChIKey SRIXLBAWSGGPTF-NNZUOWEZSA-N
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