ChemSpider 2D Image | (3aS,4R,5S,6S,7R,7aR)-2,5,6,7-Tetrahydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphol-4-yl 2-amino-2-deoxy-D-glucopyranoside | C12H22NO12P

(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-Tetrahydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphol-4-yl 2-amino-2-deoxy-D-glucopyranoside

  • Molecular FormulaC12H22NO12P
  • Average mass403.276 Da
  • Monoisotopic mass403.087952 Da
  • ChemSpider ID58829821

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-Tetrahydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphol-4-yl 2-amino-2-deoxy-D-glucopyranoside [ACD/IUPAC Name]
(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-Tetrahydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphol-4-yl-2-amino-2-desoxy-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-D-glucopyranoside de (3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tétrahydroxy-2-oxydohexahydro-1,3,2-benzodioxaphosphol-4-yle [French] [ACD/IUPAC Name]
D-Glucopyranoside, (3aS,4R,5S,6S,7R,7aR)-hexahydro-2,5,6,7-tetrahydroxy-2-oxido-1,3,2-benzodioxaphosphol-4-yl 2-amino-2-deoxy- [ACD/Index Name]
6-(&α;-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 688.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.5±6.0 kJ/mol
Flash Point: 370.4±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 79.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 231 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 117.0±5.0 dyne/cm
Molar Volume: 213.2±5.0 cm3

Click to predict properties on the Chemicalize site


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