ChemSpider 2D Image | N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide | C42H71N3O31

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide

  • Molecular FormulaC42H71N3O31
  • Average mass1114.015 Da
  • Monoisotopic mass1113.407104 Da
  • ChemSpider ID8209739
  • defined stereocentres - 30 of 30 defined stereocentres


More details:






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

β-D-Glucopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-2-acetamido-2 ;-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-2-acétamido-2 ;-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1491.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 257.8±6.0 kJ/mol
Flash Point: 856.0±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 240.2±0.4 cm3
#H bond acceptors: 34
#H bond donors: 20
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -10.00
ACD/LogD (pH 5.5): -10.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 533 Å2
Polarizability: 95.2±0.5 10-24cm3
Surface Tension: 109.6±5.0 dyne/cm
Molar Volume: 645.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement