ChemSpider 2D Image | (5xi,13alpha,14beta,20S,21R,23R)-21,24,25-Trihydroxy-21,23-epoxylanost-7-en-3-one | C30H48O5

(5ξ,13α,14β,20S,21R,23R)-21,24,25-Trihydroxy-21,23-epoxylanost-7-en-3-one

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID57524911

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(5ξ,13α,14β,20S,21R,23R)-21,24,25-Trihydroxy-21,23-epoxylanost-7-en-3-on [German] [ACD/IUPAC Name]
(5ξ,13α,14β,20S,21R,23R)-21,24,25-Trihydroxy-21,23-epoxylanost-7-en-3-one [ACD/IUPAC Name]
(5ξ,13α,14β,20S,21R,23R)-21,24,25-Trihydroxy-21,23-époxylanost-7-én-3-one [French] [ACD/IUPAC Name]
32764-64-0 [RN]
Melianodiol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 195.4±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 925.73
ACD/KOC (pH 5.5): 4623.91
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 925.73
ACD/KOC (pH 7.4): 4623.90
Polar Surface Area: 87 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 419.5±5.0 cm3

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