ChemSpider 2D Image | 1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside | C12H23NO10

1D-myo-inositol 2-amino-2-deoxy-α-D-glucopyranoside

  • Molecular FormulaC12H23NO10
  • Average mass341.312 Da
  • Monoisotopic mass341.132202 Da
  • ChemSpider ID21866037
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl-2-amino-2-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
1D-myo-inositol 2-amino-2-deoxy-α-D-glucopyranoside
2-Amino-2-désoxy-α-D-glucopyranoside de (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy- [ACD/Index Name]
1-O-(2-amino-2-deoxy-α-D-glucopyranosyl)-1D-myo-inositol
  • Miscellaneous
    • Chemical Class:

      A 2-deoxy-<stereo>alpha</stereo>-<stereo>D</stereo>-glucoside having an inosityl group attached at the 1-position. ChEBI CHEBI:52283

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 607.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 321.4±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 72.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 10
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -5.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 120.9±5.0 dyne/cm
Molar Volume: 191.7±5.0 cm3

Click to predict properties on the Chemicalize site






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