ChemSpider 2D Image | (3S,6E)-8-Hydroxy-3,7-dimethyl-1,6-octadien-3-yl beta-D-glucopyranoside | C16H28O7

(3S,6E)-8-Hydroxy-3,7-dimethyl-1,6-octadien-3-yl β-D-glucopyranoside

  • Molecular FormulaC16H28O7
  • Average mass332.389 Da
  • Monoisotopic mass332.183502 Da
  • ChemSpider ID23326666

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,6E)-8-Hydroxy-3,7-dimethyl-1,6-octadien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3S,6E)-8-Hydroxy-3,7-dimethyl-1,6-octadien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3S,6E)-8-hydroxy-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,4E)-1-ethenyl-6-hydroxy-1,5-dimethyl-4-hexen-1-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-((S,E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
(3S,6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469619/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.42
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.98
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.98
Polar Surface Area: 120 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 264.9±5.0 cm3

Click to predict properties on the Chemicalize site


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