ChemSpider 2D Image | (3alpha,13alpha,14beta,17alpha,20S,21R,23R,24S)-24,25-Dihydroxy-21-methoxy-21,23-epoxylanost-7-en-3-yl acetate | C33H54O6

(3α,13α,14β,17α,20S,21R,23R,24S)-24,25-Dihydroxy-21-methoxy-21,23-epoxylanost-7-en-3-yl acetate

  • Molecular FormulaC33H54O6
  • Average mass546.778 Da
  • Monoisotopic mass546.392029 Da
  • ChemSpider ID30831772

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,13α,14β,17α,20S,21R,23R,24S)-24,25-Dihydroxy-21-methoxy-21,23-epoxylanost-7-en-3-yl acetate [ACD/IUPAC Name]
(3α,13α,14β,17α,20S,21R,23R,24S)-24,25-Dihydroxy-21-methoxy-21,23-epoxylanost-7-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,13α,14β,17α,20S,21R,23R,24S)-24,25-dihydroxy-21-méthoxy-21,23-époxylanost-7-én-3-yle [French] [ACD/IUPAC 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: 615.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.8±6.0 kJ/mol
Flash Point: 185.5±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27693.60
ACD/KOC (pH 5.5): 52655.03
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27693.60
ACD/KOC (pH 7.4): 52655.03
Polar Surface Area: 85 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 483.0±5.0 cm3

Click to predict properties on the Chemicalize site


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