ChemSpider 2D Image | 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside | C14H25NO11

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

  • Molecular FormulaC14H25NO11
  • Average mass383.348 Da
  • Monoisotopic mass383.142761 Da
  • ChemSpider ID23107016

  • 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-acetamido-2-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl-2-acetamido-2-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside
2-Acétamido-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-(acetylamino)-2-deoxy- [ACD/Index Name]
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside
1-(2-acetamido-2-deoxy-&α;-D-glucopyranosyl)-1D-myo-inositol
1-D-<i>myo<;/i>-inosityl-2-acetamido-2-deoxy-&amp;α;-D-glucopyranoside
1-O-(2-acetamido-2-deoxy-α-D-glucopyranosyl)-1D-myo-inositol
GlcNAc-(α1,1)-1D-Ins
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 716.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.7±6.0 kJ/mol
Flash Point: 387.2±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 82.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -2.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 104.6±5.0 dyne/cm
Molar Volume: 225.0±5.0 cm3

Click to predict properties on the Chemicalize site


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