ChemSpider 2D Image | (2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl beta-D-glucopyranoside | C16H30O8

(2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl β-D-glucopyranoside

  • Molecular FormulaC16H30O8
  • Average mass350.405 Da
  • Monoisotopic mass350.194061 Da
  • ChemSpider ID22936683

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (2E)-4,7-dihydroxy-3,7-diméthyl-2-octén-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2E)-4,7-dihydroxy-3,7-dimethyl-2-octen-1-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[(E)-4,7-dihydroxy-3,7-dimethyloct-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Compound NP-015222

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.74
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.74
Polar Surface Area: 140 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 267.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement