ChemSpider 2D Image | (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-ammonio-2-deoxy-alpha-D-glucopyranoside | C12H24NO10

(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-ammonio-2-deoxy-α-D-glucopyranoside

  • Molecular FormulaC12H24NO10
  • Average mass342.319 Da
  • Monoisotopic mass342.139465 Da
  • ChemSpider ID26331311

  • Charge - Charge

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-ammonio-2-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl-2-ammonio-2-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Ammonio-2-désoxy-α-D-glucopyranoside de (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1β,2α,3α,4α,5β,6α)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-, conjugate acid [ACD/Index Name]
(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-azaniumyl-2-deoxy-α-D-glucopyranoside
(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-azaniumyl-2-deoxy-α-D-glucopyranoside; 6-O-(2-azaniumyl-2-deoxy-α-D-glucopyranosyl)-1D-myo-inositol
6-(α-D-glucosaminyl)-1D-myo-inositol
6-(α-D-glucosazaniumyl)-1D-myo-inositol
6-O-(2-azaniumyl-2-deoxy-α-D-glucopyranosyl)-1D-myo-inositol

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

Density:
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:
Molar Refractivity:
#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: 208 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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