ChemSpider 2D Image | sindurol | C31H44O9

sindurol

  • Molecular FormulaC31H44O9
  • Average mass560.676 Da
  • Monoisotopic mass560.298523 Da
  • ChemSpider ID10236991
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres


More details:






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

4-(2,5-Dihydroxy-4-methylphenyl)-2-{(1R,3S,5R)-3-[(1E)-2,6-dimethyl-1,5-heptadien-1-yl]-5-methyl-2,8-dioxabicyclo[3.2.1]oct-1-yl}-2-hydroxy-1,3-butandiyl-diacetat [German] [ACD/IUPAC Name]
4-(2,5-Dihydroxy-4-methylphenyl)-2-{(1R,3S,5R)-3-[(1E)-2,6-dimethyl-1,5-heptadien-1-yl]-5-methyl-2,8-dioxabicyclo[3.2.1]oct-1-yl}-2-hydroxy-1,3-butanediyl diacetate [ACD/IUPAC Name]
Diacétate de 4-(2,5-dihydroxy-4-méthylphényl)-2-{(1R,3S,5R)-3-[(1E)-2,6-diméthyl-1,5-heptadién-1-yl]-5-méthyl-2,8-dioxabicyclo[3.2.1]oct-1-yl}-2-hydroxy-1,3-butanediyle [French] [ACD/IUPAC Name]
sindurol
172998-30-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 213.9±25.0 °C
Index of Refraction: 1.583
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30609.79
ACD/KOC (pH 5.5): 56566.86
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30585.57
ACD/KOC (pH 7.4): 56522.09
Polar Surface Area: 132 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 453.6±3.0 cm3

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