2-Amino-6-O-(2-Amino-2-Deoxy-β-D-Glucopyranosyl)-2-Deoxy-D-Glucose

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Properties Simple | Detailed

Formula C12H24N2O9
IUPAC Name (2r,3r,4s,5r)-2-amino-6-[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4,5-trihydroxy-hexanal
Molecular Mass 340.327 g·mol−1
Heat of Formation -1627.7 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 384.6 Å 3
Surface Area 330.85 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-amino-6-[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5-trihydroxy-hexanal
  • (2r,3r,4s,5r)-2-amino-6-[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5-trihydroxyhexanal
  • (2r,3r,4s,5r)-2-amino-6-[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4,5-trihydroxy-hexanal
  • (2r,3r,4s,5r)-2-amino-6-[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,4,5-trihydroxy-hexanal
  • (2r,3r,4s,5r)-2-amino-6-[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3,4,5-trihydroxyhexanal
  • 2-amino-6-o-(2-amino-2-deoxy-glucopyranosyl)-2-deoxyglucose
  • bordetella pertussis endotoxin disaccharide
  • bpe disaccharide
  • d-glucose, 2-amino-6-o-(2-amino-2-deoxy-beta-d-glucopyranosyl)-2-deoxy-
CAS Number(s)
  • 86126-02-5
InChIKey FTAUCPHQWYMDQN-HCPRZREOSA-N
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