(1R,2R,3S,5S,7R)-2-Acetamido-7-[(1R)-1,2-Dihydroxyethyl]-3-Hydroxy-6,8-Dioxabicyclo[3.2.1]Octane-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H17NO8
IUPAC Name (1r,2r,3s,5s,7r)-2-acetamido-7-[(1r)-1,2-dihydroxyethyl]-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
Molecular Mass 291.255 g·mol−1
Heat of Formation -1495.8 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 319.03 Å 3
Surface Area 280.96 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2,7-anhydro-neu5ac
  • 2-acetylamino-7-(1,2-dihydroxy-ethyl)-3-hydroxy-6,8-dioxa-bicyclo[3.2.1]octane-5-carboxylic acid
  • 5-acetamido-2,7-anhydro-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
  • n-acetyl-2,7-anhydro-alpha-neuraminic acid
  • skd
InChIKey NCMJSVDTRDLWJE-YRMXFSIDSA-N
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