ChemSpider 2D Image | Methyl 4-O-(2-O-acetyl-4-O-benzoyl-3-O-benzyl-6-deoxy-beta-L-mannopyranosyl)-6-deoxy-2,3-O-isopropylidene-alpha-L-mannopyranoside | C32H40O11

Methyl 4-O-(2-O-acetyl-4-O-benzoyl-3-O-benzyl-6-deoxy-β-L-mannopyranosyl)-6-deoxy-2,3-O-isopropylidene-α-L-mannopyranoside

  • Molecular FormulaC32H40O11
  • Average mass600.653 Da
  • Monoisotopic mass600.257080 Da
  • ChemSpider ID9094343

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-O-(2-O-Acétyl-4-O-benzoyl-3-O-benzyl-6-désoxy-β-L-mannopyranosyl)-6-désoxy-2,3-O-isopropylidène-α-L-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 4-O-(2-O-acetyl-4-O-benzoyl-3-O-benzyl-6-deoxy-β-L-mannopyranosyl)-6-deoxy-2,3-O-isopropylidene-α-L-mannopyranoside [ACD/IUPAC Name]
Methyl-4-O-(2-O-acetyl-4-O-benzoyl-3-O-benzyl-6-desoxy-β-L-mannopyranosyl)-6-desoxy-2,3-O-isopropyliden-α-L-mannopyranosid [German] [ACD/IUPAC Name]
α-L-Mannopyranoside, methyl 4-O-[2-O-acetyl-4-O-benzoyl-6-deoxy-3-O-(phenylmethyl)-β-L-mannopyranosyl]-6-deoxy-2,3-O-(1-methylethylidene)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 272.4±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 13929.87
ACD/KOC (pH 5.5): 32197.74
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 13929.87
ACD/KOC (pH 7.4): 32197.74
Polar Surface Area: 117 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 472.5±5.0 cm3

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