ChemSpider 2D Image | 3-[(12,25-Dihydroxy-20,24-epoxydammaran-3-yl)oxy]-3-oxopropanoic acid | C33H54O7

3-[(12,25-Dihydroxy-20,24-epoxydammaran-3-yl)oxy]-3-oxopropanoic acid

  • Molecular FormulaC33H54O7
  • Average mass562.778 Da
  • Monoisotopic mass562.386963 Da
  • ChemSpider ID511586

More details:

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

3-[(12,25-Dihydroxy-20,24-epoxydammaran-3-yl)oxy]-3-oxopropanoic acid [ACD/IUPAC Name]
3-[(12,25-Dihydroxy-20,24-epoxydammaran-3-yl)oxy]-3-oxopropansäure [German] [ACD/IUPAC Name]
Acide 3-[(12,25-dihydroxy-20,24-époxydammaran-3-yl)oxy]-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, mono(20,24-epoxy-12,25-dihydroxydammaran-3-yl) ester [ACD/Index Name]
3-((12-Hydroxy-17-[5-(1-hydroxy-1-methylethyl)-2-methyltetrahydro-2-furanyl]-4,4,8,10,14-pentamethylgonan-3-yl)oxy)-3-oxopropanoic acid
Dammarane-3,12,25-triol, 20,24-epoxy-, 3-(hydrogen propanedioate), (3α,12β,24R)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 650.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 197.7±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 152.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 55.37
ACD/KOC (pH 5.5): 104.11
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 5.76
ACD/KOC (pH 7.4): 10.82
Polar Surface Area: 113 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 477.7±5.0 cm3

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