(3As,4R,5S,6S,7R,7Ar)-2,5,6,7-Tetrahydroxy-2-Oxidohexahydro-1,3,2-Benzodioxaphosphol-4-Yl 2-Amino-2-Deoxy-α-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C12H22NO12P
IUPAC Name (2s,3as,4r,5s,6s,7r,7ar)-4-[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-5,6,7-triol
Molecular Mass 403.276 g·mol−1
Heat of Formation -2492.4 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 406.38 Å 3
Surface Area 333.41 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s,4s,5r,6r)-2-[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-hydroxy-8-oxo-7,9-dioxa-8$l^{5}-phosphabicyclo[4.3.0]nonane-3,4,5-triol
  • (1s,2r,3s,4s,5r,6r)-2-[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-8-hydroxy-8-oxo-7,9-dioxa-8$l^{5}-phosphabicyclo[4.3.0]nonane-3,4,5-triol
  • (1s,2r,3s,4s,5r,6r)-2-[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-8-hydroxy-8-keto-7,9-dioxa-8$l^{5}-phosphabicyclo[4.3.0]nonane-3,4,5-triol
  • (1s,2r,3s,4s,5r,6r)-2-[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-8-hydroxy-8-oxo-7,9-dioxa-8$l^{5}-phosphabicyclo[4.3.0]nonane-3,4,5-triol
  • 6-(alpha-d-glucosaminyl)-1d-myo-inositol 1,2-cyclic phosphate
CAS Number(s)
  • 140391-24-8
InChIKey ZULNQPCZALKHMF-LBZOJLJLSA-N
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