ChemSpider 2D Image | (5E)-2-Hydroxy-2,6-dimethyl-5,7-octadien-3-yl beta-D-glucopyranoside | C16H28O7

(5E)-2-Hydroxy-2,6-dimethyl-5,7-octadien-3-yl β-D-glucopyranoside

  • Molecular FormulaC16H28O7
  • Average mass332.389 Da
  • Monoisotopic mass332.183502 Da
  • ChemSpider ID84487483

  • 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

(5E)-2-Hydroxy-2,6-dimethyl-5,7-octadien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(5E)-2-Hydroxy-2,6-dimethyl-5,7-octadien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (5E)-2-hydroxy-2,6-diméthyl-5,7-octadién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3E)-1-(1-hydroxy-1-methylethyl)-4-methyl-3,5-hexadien-1-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[(5E)-2-hydroxy-2,6-dimethylocta-5,7-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Compound NP-023107

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 287.7±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.31
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.31
Polar Surface Area: 120 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 265.5±5.0 cm3

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