ChemSpider 2D Image | (3beta,4beta,5beta,6beta,17alpha,22R)-3,4,14,17,20-Pentahydroxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione | C28H40O9

(3β,4β,5β,6β,17α,22R)-3,4,14,17,20-Pentahydroxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione

  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID58922702

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,4β,5β,6β,17α,22R)-3,4,14,17,20-Pentahydroxy-5,6:22,26-diepoxyergost-24-en-1,26-dion [German] [ACD/IUPAC Name]
(3β,4β,5β,6β,17α,22R)-3,4,14,17,20-Pentahydroxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione [ACD/IUPAC Name]
(3β,4β,5β,6β,17α,22R)-3,4,14,17,20-Pentahydroxy-5,6:22,26-diépoxyergost-24-ène-1,26-dione [French] [ACD/IUPAC Name]
Ergost-24-ene-1,26-dione, 5,6:22,26-diepoxy-3,4,14,17,20-pentahydroxy-, (3β,4β,5β,6β,17α,22R)- [ACD/Index Name]
(1S,2R,5S,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5,6,12,15-tetrahydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
1198400-52-0 [RN]
Phyperunolide E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.7±6.0 kJ/mol
Flash Point: 243.4±26.4 °C
Index of Refraction: 1.631
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 52.72
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 52.72
Polar Surface Area: 157 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 365.4±5.0 cm3

Click to predict properties on the Chemicalize site


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