ChemSpider 2D Image | Methyl 4,6-di-O-benzyl-2-O-(2,2-dimethylpropanoyl)-3-O-[(3R)-3-methylpentanoyl]-alpha-D-mannopyranoside | C32H44O8

Methyl 4,6-di-O-benzyl-2-O-(2,2-dimethylpropanoyl)-3-O-[(3R)-3-methylpentanoyl]-α-D-mannopyranoside

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID9127055

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4,6-Di-O-benzyl-2-O-(2,2-diméthylpropanoyl)-3-O-[(3R)-3-méthylpentanoyl]-α-D-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 4,6-di-O-benzyl-2-O-(2,2-dimethylpropanoyl)-3-O-[(3R)-3-methylpentanoyl]-α-D-mannopyranoside [ACD/IUPAC Name]
Methyl-4,6-di-O-benzyl-2-O-(2,2-dimethylpropanoyl)-3-O-[(3R)-3-methylpentanoyl]-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, methyl 3-O-[(3R)-3-methyl-1-oxopentyl]-4,6-bis-O-(phenylmethyl)-, 2,2-dimethylpropanoate [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 612.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 253.0±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 101714.16
ACD/KOC (pH 5.5): 133617.27
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 101714.16
ACD/KOC (pH 7.4): 133617.27
Polar Surface Area: 90 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 489.9±5.0 cm3

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