ChemSpider 2D Image | (3S)-3,7-Dimethyl-1,6-octadien-3-yl 2,3,4-tri-O-benzoyl-beta-D-glucopyranoside | C37H40O9

(3S)-3,7-Dimethyl-1,6-octadien-3-yl 2,3,4-tri-O-benzoyl-β-D-glucopyranoside

  • Molecular FormulaC37H40O9
  • Average mass628.708 Da
  • Monoisotopic mass628.267212 Da
  • ChemSpider ID10002959
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3S)-3,7-Dimethyl-1,6-octadien-3-yl 2,3,4-tri-O-benzoyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3S)-3,7-Dimethyl-1,6-octadien-3-yl-2,3,4-tri-O-benzoyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,4-Tri-O-benzoyl-β-D-glucopyranoside de (3S)-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl, 2,3,4-tribenzoate [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 735.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 225.1±26.4 °C
Index of Refraction: 1.593
Molar Refractivity: 172.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 10.98
ACD/LogD (pH 5.5): 8.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 973912.94
ACD/LogD (pH 7.4): 8.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 973912.94
Polar Surface Area: 118 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 507.8±5.0 cm3

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