ChemSpider 2D Image | (1'S,4'R,5'S,8'R,9'S)-5'-Hydroxy-3'H-spiro[naphtho[1,8-de][1,3]dioxine-2,10'-[11]oxatricyclo[6.2.1.0~4,9~]undec[6]en]-3'-one | C20H16O5

(1'S,4'R,5'S,8'R,9'S)-5'-Hydroxy-3'H-spiro[naphtho[1,8-de][1,3]dioxine-2,10'-[11]oxatricyclo[6.2.1.04,9]undec[6]en]-3'-one

  • Molecular FormulaC20H16O5
  • Average mass336.338 Da
  • Monoisotopic mass336.099762 Da
  • ChemSpider ID35517119

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1'S,4'R,5'S,8'R,9'S)-5'-Hydroxy-3'H-spiro[naphtho[1,8-de][1,3]dioxine-2,10'-[11]oxatricyclo[6.2.1.04,9]undec[6]en]-3'-one [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 604.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 225.6±25.0 °C
Index of Refraction: 1.738
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.32
ACD/KOC (pH 5.5): 558.59
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.32
ACD/KOC (pH 7.4): 558.59
Polar Surface Area: 65 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 221.4±5.0 cm3

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