ChemSpider 2D Image | (4beta,5beta,6alpha,17alpha,22R)-6-Chloro-4,5,17,20-tetrahydroxy-22,26-epoxyergosta-2,14,24-triene-1,26-dione | C28H37ClO7

(4β,5β,6α,17α,22R)-6-Chloro-4,5,17,20-tetrahydroxy-22,26-epoxyergosta-2,14,24-triene-1,26-dione

  • Molecular FormulaC28H37ClO7
  • Average mass521.042 Da
  • Monoisotopic mass520.222778 Da
  • ChemSpider ID156404

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(4β,5β,6α,17α,22R)-6-Chlor-4,5,17,20-tetrahydroxy-22,26-epoxyergosta-2,14,24-trien-1,26-dion [German] [ACD/IUPAC Name]
(4β,5β,6α,17α,22R)-6-Chloro-4,5,17,20-tetrahydroxy-22,26-epoxyergosta-2,14,24-triene-1,26-dione [ACD/IUPAC Name]
(4β,5β,6α,17α,22R)-6-Chloro-4,5,17,20-tétrahydroxy-22,26-époxyergosta-2,14,24-triène-1,26-dione [French] [ACD/IUPAC Name]
92594-02-0 [RN]
Ergosta-2,14,24-triene-1,26-dione, 6-chloro-22,26-epoxy-4,5,17,20-tetrahydroxy-, (4β,5β,6α,17α,22R)- [ACD/Index Name]
17S,20S,22R-6α-chloro-4β,5β,17β,20α-tetrahydroxy-1-oxo-ergosta-2,14,24-trienolide
PHYSALOLACTONE C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.2±6.0 kJ/mol
Flash Point: 381.2±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.85
ACD/KOC (pH 5.5): 460.13
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.85
ACD/KOC (pH 7.4): 460.12
Polar Surface Area: 124 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 377.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement