(1S,2R,3S,4S,5R,6S)-4-Amino-6-Methoxy-1,2,3,5-Cyclohexanetetrol

Molecule SVG Image

Properties Simple | Detailed

Formula C7H15NO5
IUPAC Name (1s,2r,3s,4s,5r,6s)-4-amino-6-methoxy-cyclohexane-1,2,3,5-tetrol
Molecular Mass 193.198 g·mol−1
Heat of Formation -971.7 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 214.14 Å 3
Surface Area 191.29 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 3.79 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s,4s,5r,6s)-4-amino-6-methoxy-cyclohexane-1,2,3,5-tetrol
  • (1s,2r,3s,4s,5r,6s)-4-amino-6-methoxycyclohexane-1,2,3,5-tetrol
  • 1-amino-1-deoxy-3-o-methylscyllo-inositol
  • 3-o-methyl-scyllo-inosamine
  • 3-o-msi
  • scyllo-inositol, 1-amino-1-deoxy-3-o-methyl-
CAS Number(s)
  • 151062-28-1
InChIKey AKNRSBGAGRXTRP-DBTJYCMPSA-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