ChemSpider 2D Image | (2alpha,11alpha,14xi,20xi)-11,14-Dihydroxyhetisan-2,13-diyl diacetate | C24H31NO6

(2α,11α,14ξ,20ξ)-11,14-Dihydroxyhetisan-2,13-diyl diacetate

  • Molecular FormulaC24H31NO6
  • Average mass429.506 Da
  • Monoisotopic mass429.215149 Da
  • ChemSpider ID21249522
  • defined stereocentres - 5 of 12 defined stereocentres


More details:






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

(2α,11α,14ξ,20ξ)-11,14-Dihydroxyhetisan-2,13-diyl diacetate [ACD/IUPAC Name]
(2α,11α,14ξ,20ξ)-11,14-Dihydroxyhetisan-2,13-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (2α,11α,14ξ,20ξ)-11,14-dihydroxyhetisan-2,13-diyle [French] [ACD/IUPAC Name]
Hetisan-2,11,13,14-tetrol, 2,13-diacetate, (2α,11α,14ξ,20ξ)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 541.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 281.3±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.42
ACD/KOC (pH 7.4): 50.47
Polar Surface Area: 96 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 299.3±5.0 cm3

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