ChemSpider 2D Image | (6beta,7beta,8beta,10alpha)-4,7-Dihydroxy-3,8-dimethoxy-17-methyl-8,10-epoxyhasubanan-6-yl (2E)-3-phenylacrylate | C28H31NO7

(6β,7β,8β,10α)-4,7-Dihydroxy-3,8-dimethoxy-17-methyl-8,10-epoxyhasubanan-6-yl (2E)-3-phenylacrylate

  • Molecular FormulaC28H31NO7
  • Average mass493.548 Da
  • Monoisotopic mass493.210052 Da
  • ChemSpider ID24672077
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2E)-3-Phénylacrylate de (6β,7β,8β,10α)-4,7-dihydroxy-3,8-diméthoxy-17-méthyl-8,10-époxyhasubanan-6-yle [French] [ACD/IUPAC Name]
(6β,7β,8β,10α)-4,7-Dihydroxy-3,8-dimethoxy-17-methyl-8,10-epoxyhasubanan-6-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(6β,7β,8β,10α)-4,7-Dihydroxy-3,8-dimethoxy-17-methyl-8,10-epoxyhasubanan-6-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (6β,7β,8β,10α)-8,10-epoxy-4,7-dihydroxy-3,8-dimethoxy-17-methylhasubanan-6-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 679.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 364.8±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 29.06
ACD/KOC (pH 5.5): 219.79
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 197.59
ACD/KOC (pH 7.4): 1494.38
Polar Surface Area: 98 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 352.2±5.0 cm3

Click to predict properties on the Chemicalize site






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