ChemSpider 2D Image | (7alpha,22R)-7,27-Dihydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione | C28H38O5

(7α,22R)-7,27-Dihydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione

  • Molecular FormulaC28H38O5
  • Average mass454.598 Da
  • Monoisotopic mass454.271912 Da
  • ChemSpider ID28425583

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7α,22R)-7,27-Dihydroxy-22,26-epoxyergosta-2,5,24-trien-1,26-dion [German] [ACD/IUPAC Name]
(7α,22R)-7,27-Dihydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione [ACD/IUPAC Name]
(7α,22R)-7,27-Dihydroxy-22,26-époxyergosta-2,5,24-triène-1,26-dione [French] [ACD/IUPAC Name]
Ergosta-2,5,24-triene-1,26-dione, 22,26-epoxy-7,27-dihydroxy-, (7α,22R)- [ACD/Index Name]
[904665-71-0] [RN]
904665-71-0 [RN]
Daturataturin A aglycone
MFCD20274950

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 218.6±25.0 °C
Index of Refraction: 1.589
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 549.53
ACD/KOC (pH 5.5): 3183.40
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 549.53
ACD/KOC (pH 7.4): 3183.40
Polar Surface Area: 84 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 372.0±5.0 cm3

Click to predict properties on the Chemicalize site


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