ChemSpider 2D Image | (2alpha,3beta,5alpha,8xi,14xi,25S)-2,3-Dihydroxyspirost-9(11)-en-12-one | C27H40O5

(2α,3β,5α,8ξ,14ξ,25S)-2,3-Dihydroxyspirost-9(11)-en-12-one

  • Molecular FormulaC27H40O5
  • Average mass444.603 Da
  • Monoisotopic mass444.287567 Da
  • ChemSpider ID29814515
  • defined stereocentres - 10 of 12 defined stereocentres


More details:






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

(2α,3β,5α,8ξ,14ξ,25S)-2,3-Dihydroxyspirost-9(11)-en-12-on [German] [ACD/IUPAC Name]
(2α,3β,5α,8ξ,14ξ,25S)-2,3-Dihydroxyspirost-9(11)-en-12-one [ACD/IUPAC Name]
(2α,3β,5α,8ξ,14ξ,25S)-2,3-Dihydroxyspirost-9(11)-én-12-one [French] [ACD/IUPAC Name]
Spirost-9(11)-en-12-one, 2,3-dihydroxy-, (2α,3β,5α,8ξ,14ξ,25S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 583.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 191.4±23.6 °C
Index of Refraction: 1.584
Molar Refractivity: 121.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 95.00
ACD/KOC (pH 5.5): 906.31
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 95.00
ACD/KOC (pH 7.4): 906.31
Polar Surface Area: 76 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 361.6±5.0 cm3

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