2-({6-[(Bromoacetyl)Amino]Hexanoyl}Amino)-2-Deoxy-D-Glucose

Molecule SVG Image

Properties Simple | Detailed

Formula C14H25BrN2O7
IUPAC Name 6-[(2-bromoacetyl)amino]-n-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]hexanamide
Molecular Mass 413.262 g·mol−1
Heat of Formation -1376.7 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 446.81 Å 3
Surface Area 339.64 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(2-bromoethanoylamino)-n-[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxo-hexan-2-yl]hexanamide
  • 6-[(2-bromo-1-oxoethyl)amino]-n-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxypentyl]hexanamide
  • 6-[(2-bromoacetyl)amino]-n-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]hexanamide
  • d-glucose, 2-((6-((bromoacetyl)amino)-1-oxohexyl)amino)-2-deoxy-
  • n-(n-bromoacetyl)-6-aminohexanoylglucosamine
CAS Number(s)
  • 71902-43-7
InChIKey VNXXVXGGZFETJR-GZZJDILISA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N