ChemSpider 2D Image | D-arabinitol, 1-O-[(4E,8E,12E)-15-[(6-O-acetyl-beta-D-threo-hexopyranosyl)oxy]-3,7,11-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyl-1-oxo-4,8,12-docosatrien-1-yl]- | C45H80O16

D-arabinitol, 1-O-[(4E,8E,12E)-15-[(6-O-acetyl-β-D-threo-hexopyranosyl)oxy]-3,7,11-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyl-1-oxo-4,8,12-docosatrien-1-yl]-

  • Molecular FormulaC45H80O16
  • Average mass877.107 Da
  • Monoisotopic mass876.544617 Da
  • ChemSpider ID21431273

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 19 defined stereocentres

More details:

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

D-arabinitol, 1-O-[(4E,8E,12E)-15-[(6-O-acetyl-β-D-threo-hexopyranosyl)oxy]-3,7,11-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyl-1-oxo-4,8,12-docosatrien-1-yl]-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 953.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.5±6.0 kJ/mol
Flash Point: 266.9±27.8 °C
Index of Refraction: 1.549
Molar Refractivity: 229.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 984.36
ACD/KOC (pH 5.5): 4828.59
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 984.35
ACD/KOC (pH 7.4): 4828.58
Polar Surface Area: 273 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 721.2±5.0 cm3

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