ChemSpider 2D Image | Methyl 2,3,4-tri-O-acetyl-6-O-(3-O-benzyl-4,6-O-benzylidene-beta-D-mannopyranosyl)-alpha-D-glucopyranoside | C33H40O14

Methyl 2,3,4-tri-O-acetyl-6-O-(3-O-benzyl-4,6-O-benzylidene-β-D-mannopyranosyl)-α-D-glucopyranoside

  • Molecular FormulaC33H40O14
  • Average mass660.662 Da
  • Monoisotopic mass660.241821 Da
  • ChemSpider ID8898356

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

2,3,4-Tri-O-acétyl-6-O-(3-O-benzyl-4,6-O-benzylidène-β-D-mannopyranosyl)-α-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2,3,4-tri-O-acetyl-6-O-(3-O-benzyl-4,6-O-benzylidene-β-D-mannopyranosyl)-α-D-glucopyranoside [ACD/IUPAC Name]
Methyl-2,3,4-tri-O-acetyl-6-O-(3-O-benzyl-4,6-O-benzyliden-β-D-mannopyranosyl)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, methyl 6-O-[3-O-(phenylmethyl)-4,6-O-(phenylmethylene)-β-D-mannopyranosyl]-, triacetate [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 228.2±26.4 °C
Index of Refraction: 1.576
Molar Refractivity: 161.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4733.43
ACD/KOC (pH 5.5): 14869.06
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4733.40
ACD/KOC (pH 7.4): 14868.98
Polar Surface Area: 164 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 488.6±5.0 cm3

Click to predict properties on the Chemicalize site


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