ChemSpider 2D Image | 1-O-Decanoyl-4-O-alpha-D-glucopyranosyl-beta-D-erythro-hexopyranose | C22H40O12

1-O-Decanoyl-4-O-α-D-glucopyranosyl-β-D-erythro-hexopyranose

  • Molecular FormulaC22H40O12
  • Average mass496.546 Da
  • Monoisotopic mass496.251984 Da
  • ChemSpider ID107443079

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

1-O-Decanoyl-4-O-α-D-glucopyranosyl-β-D-erythro-hexopyranose [German] [ACD/IUPAC Name]
1-O-Decanoyl-4-O-α-D-glucopyranosyl-β-D-erythro-hexopyranose [ACD/IUPAC Name]
1-O-Decanoyl-4-O-α-D-glucopyranosyl-β-D-érythro-hexopyranose [French] [ACD/IUPAC Name]
β-D-erythro-Hexopyranose, 4-O-α-D-glucopyranosyl-1-O-(1-oxodecyl)- [ACD/Index Name]
1155664-66-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 228.7±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.12
ACD/KOC (pH 5.5): 59.65
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 59.65
Polar Surface Area: 196 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 360.7±5.0 cm3

Click to predict properties on the Chemicalize site


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