Found 1 result

Search term: 23339843 (Found by CSID)
ChemSpider 2D Image | (4beta,5beta,6beta,16beta,22R,25R)-4,16,20-Trihydroxy-5,6:22,26-diepoxyergost-2-ene-1,26-dione | C28H40O7

(4β,5β,6β,16β,22R,25R)-4,16,20-Trihydroxy-5,6:22,26-diepoxyergost-2-ene-1,26-dione

  • Molecular FormulaC28H40O7
  • Average mass488.613 Da
  • Monoisotopic mass488.277405 Da
  • ChemSpider ID23339843

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(4β,5β,6β,16β,22R,25R)-4,16,20-Trihydroxy-5,6:22,26-diepoxyergost-2-en-1,26-dion [German] [ACD/IUPAC Name]
(4β,5β,6β,16β,22R,25R)-4,16,20-Trihydroxy-5,6:22,26-diepoxyergost-2-ene-1,26-dione [ACD/IUPAC Name]
(4β,5β,6β,16β,22R,25R)-4,16,20-Trihydroxy-5,6:22,26-diépoxyergost-2-ène-1,26-dione [French] [ACD/IUPAC Name]
Ergost-2-ene-1,26-dione, 5,6:22,26-diepoxy-4,16,20-trihydroxy-, (4β,5β,6β,16β,22R,25R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL452952/
withaphysacarpin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 694.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 230.1±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.14
ACD/KOC (pH 5.5): 156.15
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.14
ACD/KOC (pH 7.4): 156.15
Polar Surface Area: 117 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 372.9±5.0 cm3

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