ChemSpider 2D Image | 2-(Hydroxymethyl)phenyl 6-O-[(9Z)-9-octadecenoyl]-beta-D-glucopyranoside | C31H50O8

2-(Hydroxymethyl)phenyl 6-O-[(9Z)-9-octadecenoyl]-β-D-glucopyranoside

  • Molecular FormulaC31H50O8
  • Average mass550.724 Da
  • Monoisotopic mass550.350586 Da
  • ChemSpider ID8047977
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2-(Hydroxymethyl)phenyl 6-O-[(9Z)-9-octadecenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(Hydroxymethyl)phenyl-6-O-[(9Z)-9-octadecenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(9Z)-9-Octadecenoyl]-β-D-glucopyranoside de 2-(hydroxyméthyl)phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl 6-O-[(9Z)-1-oxo-9-octadecen-1-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 686.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 211.8±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 152.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 64360.44
ACD/KOC (pH 5.5): 96291.98
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 64359.73
ACD/KOC (pH 7.4): 96290.92
Polar Surface Area: 126 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 487.0±3.0 cm3

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