ChemSpider 2D Image | Methyl (4beta,5beta,6beta,17alpha,22R)-14,17,20-trihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-4-yl carbonate | C30H40O10

Methyl (4β,5β,6β,17α,22R)-14,17,20-trihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-4-yl carbonate

  • Molecular FormulaC30H40O10
  • Average mass560.633 Da
  • Monoisotopic mass560.262146 Da
  • ChemSpider ID76790334

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

Carbonate de méthyle et de (4β,5β,6β,17α,22R)-14,17,20-trihydroxy-1,26-dioxo-5,6:22,26-diépoxyergosta-2,24-dién-4-yle [French] [ACD/IUPAC Name]
Carbonic acid, (4β,5β,6β,17α,22R)-5,6:22,26-diepoxy-14,17,20-trihydroxy-1,26-dioxoergosta-2,24-dien-4-yl methyl ester [ACD/Index Name]
Methyl (4β,5β,6β,17α,22R)-14,17,20-trihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-4-yl carbonate [ACD/IUPAC Name]
Methyl-(4β,5β,6β,17α,22R)-14,17,20-trihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-4-ylcarbonat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 757.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.9±6.0 kJ/mol
Flash Point: 246.1±26.4 °C
Index of Refraction: 1.608
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.52
ACD/KOC (pH 5.5): 174.58
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.52
ACD/KOC (pH 7.4): 174.58
Polar Surface Area: 152 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 404.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement