ChemSpider 2D Image | (2alpha,3alpha,5alpha,9beta,10alpha,13alpha,14beta,17alpha,20S,22S,25R,28S)-2,3,14,20,28-Pentahydroxy-22,26-epoxystigmast-7-ene-6,26-dione | C29H44O8

(2α,3α,5α,9β,10α,13α,14β,17α,20S,22S,25R,28S)-2,3,14,20,28-Pentahydroxy-22,26-epoxystigmast-7-ene-6,26-dione

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID82964568
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(2α,3α,5α,9β,10α,13α,14β,17α,20S,22S,25R,28S)-2,3,14,20,28-Pentahydroxy-22,26-epoxystigmast-7-en-6,26-dion [German] [ACD/IUPAC Name]
(2α,3α,5α,9β,10α,13α,14β,17α,20S,22S,25R,28S)-2,3,14,20,28-Pentahydroxy-22,26-epoxystigmast-7-ene-6,26-dione [ACD/IUPAC Name]
(2α,3α,5α,9β,10α,13α,14β,17α,20S,22S,25R,28S)-2,3,14,20,28-Pentahydroxy-22,26-époxystigmast-7-ène-6,26-dione [French] [ACD/IUPAC Name]
Stigmast-7-ene-6,26-dione, 22,26-epoxy-2,3,14,20,28-pentahydroxy-, (2α,3α,5α,9β,10α,13α,14β,17α,20S,22S,25R,28S)- [ACD/Index Name]
27335-85-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 726.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 235.9±26.4 °C
Index of Refraction: 1.600
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.50
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 39.54
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 39.54
Polar Surface Area: 145 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 395.5±5.0 cm3

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