ChemSpider 2D Image | 22,24,25,28-Tetrahydroxy-4-(hydroxymethyl)-14-methyl-9,19-cycloergostan-3-one | C30H50O6

22,24,25,28-Tetrahydroxy-4-(hydroxymethyl)-14-methyl-9,19-cycloergostan-3-one

  • Molecular FormulaC30H50O6
  • Average mass506.714 Da
  • Monoisotopic mass506.360748 Da
  • ChemSpider ID512164

More details:

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

22,24,25,28-Tetrahydroxy-4-(hydroxymethyl)-14-methyl-9,19-cycloergostan-3-on [German] [ACD/IUPAC Name]
22,24,25,28-Tetrahydroxy-4-(hydroxymethyl)-14-methyl-9,19-cycloergostan-3-one [ACD/IUPAC Name]
22,24,25,28-Tétrahydroxy-4-(hydroxyméthyl)-14-méthyl-9,19-cycloergostan-3-one [French] [ACD/IUPAC Name]
6-(Hydroxymethyl)-3a,12a-dimethyl-1-[2,4,5-trihydroxy-4-(hydroxymethyl)-1,5-dimethylhexyl]tetradecahydro-7H-cyclopenta[a]cyclopropa[e]phenanthren-7-one
9,19-Cycloergostan-3-one, 22,24,25,28-tetrahydroxy-4-(hydroxymethyl)-14-methyl- [ACD/Index Name]
9,19-Cycloergostan-3-one, 22,24,25,28-tetrahydroxy-4-(hydroxymethyl)-14-methyl-, (5α)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 384.2±26.6 °C
Index of Refraction: 1.582
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.99
ACD/KOC (pH 5.5): 683.03
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.99
ACD/KOC (pH 7.4): 683.03
Polar Surface Area: 118 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 414.7±5.0 cm3

Click to predict properties on the Chemicalize site


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