ChemSpider 2D Image | (2R,4aS,5S,8R,8aS)-2,5,8-Trihydroxy-2,3,4a,5,8,8a-hexahydro-4H-spiro[naphthalene-1,2'-naphtho[1,8-de][1,3]dioxin]-4-one | C20H18O6

(2R,4aS,5S,8R,8aS)-2,5,8-Trihydroxy-2,3,4a,5,8,8a-hexahydro-4H-spiro[naphthalene-1,2'-naphtho[1,8-de][1,3]dioxin]-4-one

  • Molecular FormulaC20H18O6
  • Average mass354.353 Da
  • Monoisotopic mass354.110352 Da
  • ChemSpider ID35517120

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,4aS,5S,8R,8aS)-2,5,8-Trihydroxy-2,3,4a,5,8,8a-hexahydro-4H-spiro[naphthalene-1,2'-naphtho[1,8-de][1,3]dioxin]-4-one [ACD/IUPAC Name]
Spiro[naphthalene-1(4H),2'-naphtho[1,8-de][1,3]dioxin]-4-one, 2,3,4a,5,8,8a-hexahydro-2,5,8-trihydroxy-, (2R,4aS,5S,8R,8aS)- [ACD/Index Name]
Palmarumycin P3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 673.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 248.3±25.0 °C
Index of Refraction: 1.742
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.83
ACD/KOC (pH 5.5): 366.67
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.83
ACD/KOC (pH 7.4): 366.67
Polar Surface Area: 96 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 82.5±5.0 dyne/cm
Molar Volume: 228.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement