ChemSpider 2D Image | (3beta,12beta,16beta,23E)-12,16,20,25-Tetrahydroxydammar-23-en-3-yl acetate | C32H54O6

(3β,12β,16β,23E)-12,16,20,25-Tetrahydroxydammar-23-en-3-yl acetate

  • Molecular FormulaC32H54O6
  • Average mass534.768 Da
  • Monoisotopic mass534.392029 Da
  • ChemSpider ID9908911

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,12β,16β,23E)-12,16,20,25-Tetrahydroxydammar-23-en-3-yl acetate [ACD/IUPAC Name]
(3β,12β,16β,23E)-12,16,20,25-Tetrahydroxydammar-23-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,12β,16β,23E)-12,16,20,25-tétrahydroxydammar-23-én-3-yle [French] [ACD/IUPAC Name]
Dammar-23-ene-3,12,16,20,25-pentol, 3-acetate, (3β,12β,16β,23E)- [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: 637.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 194.4±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3234.74
ACD/KOC (pH 5.5): 11322.37
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3234.74
ACD/KOC (pH 7.4): 11322.37
Polar Surface Area: 107 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 468.3±5.0 cm3

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