(3Ar,5R,6S,7S,7Ar)-5-(Hydroxymethyl)Tetrahydro-3Ah-[1,3,2]Dioxaphospholo[4,5-B]Pyran-2,6,7-Triol 2-Oxide

Molecule SVG Image

Properties Simple | Detailed

Formula C6H11O8P
IUPAC Name (2s,3ar,5r,6s,7s,7ar)-2-hydroxy-5-(hydroxymethyl)-2-oxo-5,6,7,7a-tetrahydro-3ah-[1,3,2]dioxaphospholo[4,5-b]pyran-6,7-diol
Molecular Mass 242.121 g·mol−1
Heat of Formation -1743.5 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 235.73 Å 3
Surface Area 216.47 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,4r,6r)-8-hydroxy-4-(hydroxymethyl)-8-oxo-5,7,9-trioxa-8$l^{5}-phosphabicyclo[4.3.0]nonane-2,3-diol
  • (1r,2s,3s,4r,6r)-8-hydroxy-8-keto-4-methylol-5,7,9-trioxa-8$l^{5}-phosphabicyclo[4.3.0]nonane-2,3-diol
  • alpha-d-glucopyranose, cyclic 1,2-(hydrogen phosphate)
  • g-1,2-cp
  • glucopyranose-1,2-cyclic phosphate
  • glucose-1,2-cyclic phosphate
CAS Number(s)
  • 64161-84-8
InChIKey PUJJEEQZLDDQPG-VFUOTHLCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O H