ChemSpider 2D Image | 3-O-[(7E)-7-Hexadecen-1-yl]-D-glucopyranose | C22H42O6

3-O-[(7E)-7-Hexadecen-1-yl]-D-glucopyranose

  • Molecular FormulaC22H42O6
  • Average mass402.565 Da
  • Monoisotopic mass402.298126 Da
  • ChemSpider ID23266807

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-O-[(7E)-7-Hexadecen-1-yl]-D-glucopyranose [German] [ACD/IUPAC Name]
3-O-[(7E)-7-Hexadecen-1-yl]-D-glucopyranose [ACD/IUPAC Name]
3-O-[(7E)-7-Hexadécén-1-yl]-D-glucopyranose [French] [ACD/IUPAC Name]
3-O-[(7E)-hexadec-7-en-1-yl]-D-glucopyranose
D-Glucopyranose, 3-O-[(7E)-7-hexadecen-1-yl]- [ACD/Index Name]
(3R,4S,5R,6R,E)-4-(hexadec-7-enyloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-2,3,5-triol
CHEMBL204151

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 295.2±30.1 °C
Index of Refraction: 1.515
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 602.72
ACD/KOC (pH 5.5): 3401.00
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 602.70
ACD/KOC (pH 7.4): 3400.92
Polar Surface Area: 99 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 369.1±5.0 cm3

Click to predict properties on the Chemicalize site


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