(4S,5S,6S,7S,8S)-5-Acetamido-4,6,8-Trihydroxy-7-{[(3R)-3-Hydroxybutanoyl]Amino}-2-Oxononanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C15H26N2O9
IUPAC Name (4s,5s,6s,7s,8s)-5-acetamido-4,6,8-trihydroxy-7-[[(3r)-3-hydroxybutanoyl]amino]-2-oxo-nonanoic acid
Molecular Mass 378.375 g·mol−1
Heat of Formation -1786.8 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 447.53 Å 3
Surface Area 374.41 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5s,6s,7s,8s)-5-acetamido-4,6,8-trihydroxy-7-[[(3r)-3-hydroxy-1-oxobutyl]amino]-2-oxononanoic acid
  • (4s,5s,6s,7s,8s)-5-acetamido-4,6,8-trihydroxy-7-[[(3r)-3-hydroxybutanoyl]amino]-2-keto-pelargonic acid
  • (4s,5s,6s,7s,8s)-5-acetamido-4,6,8-trihydroxy-7-[[(3r)-3-hydroxybutanoyl]amino]-2-oxo-nonanoic acid
  • (4s,5s,6s,7s,8s)-5-acetamido-4,6,8-trihydroxy-7-[[(3r)-3-hydroxybutanoyl]amino]-2-oxononanoic acid
  • 5-acetamido-3,5,7,9-tetradeoxy-7-(3-hydroxybutyramido)-l-glycero-l-manno-nonulosonic acid
  • 5-acetamido-3,5,7,9-tetradeoxy-7-(3-hydroxybutyramido)nonulosonic acid
  • 5-athbn
CAS Number(s)
  • 100343-04-2
InChIKey BTVNUGLCVUINJD-MQKLSUBOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N