ChemSpider 2D Image | (8beta,13xi,15S)-12-Hydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dione | C18H25NO6

(8β,13ξ,15S)-12-Hydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dione

  • Molecular FormulaC18H25NO6
  • Average mass351.394 Da
  • Monoisotopic mass351.168182 Da
  • ChemSpider ID78431683

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(8β,13ξ,15S)-12-Hydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dion [German] [ACD/IUPAC Name]
(8β,13ξ,15S)-12-Hydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dione [ACD/IUPAC Name]
(8β,13ξ,15S)-12-Hydroxy-15,20-dihydro-15,20-époxysénécionan-11,16-dione [French] [ACD/IUPAC Name]
Spiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-3(2H),2'-oxirane]-2,7(4H)-dione, 5,6,9,11,13,14,14a,14b-octahydro-6-hydroxy-3',5,6-trimethyl-, (3S,6R,14aR,14bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 301.0±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.68
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 36.59
Polar Surface Area: 89 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 262.3±5.0 cm3

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