ChemSpider 2D Image | 1,3-Bis(benzyloxy)-2-propanyl 6-O-(cyclohexylacetyl)-beta-D-galactopyranoside | C31H42O9

1,3-Bis(benzyloxy)-2-propanyl 6-O-(cyclohexylacetyl)-β-D-galactopyranoside

  • Molecular FormulaC31H42O9
  • Average mass558.660 Da
  • Monoisotopic mass558.282898 Da
  • ChemSpider ID17257701

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,3-Bis(benzyloxy)-2-propanyl 6-O-(cyclohexylacetyl)-β-D-galactopyranoside [ACD/IUPAC Name]
1,3-Bis(benzyloxy)-2-propanyl-6-O-(cyclohexylacetyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Cyclohexylacétyl)-β-D-galactopyranoside de 1,3-bis(benzyloxy)-2-propanyle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, 2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethyl, 6-(2-cyclohexylacetate) [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: 705.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 223.2±26.4 °C
Index of Refraction: 1.584
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1430.44
ACD/KOC (pH 5.5): 6313.70
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1430.43
ACD/KOC (pH 7.4): 6313.63
Polar Surface Area: 124 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 444.2±5.0 cm3

Click to predict properties on the Chemicalize site


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