ChemSpider 2D Image | (2R,8R,8aS)-2,8-Dihydroxy-2,3,8,8a-tetrahydro-4H-spiro[naphthalene-1,2'-naphtho[1,8-de][1,3]dioxin]-4-one | C20H16O5

(2R,8R,8aS)-2,8-Dihydroxy-2,3,8,8a-tetrahydro-4H-spiro[naphthalene-1,2'-naphtho[1,8-de][1,3]dioxin]-4-one

  • Molecular FormulaC20H16O5
  • Average mass336.338 Da
  • Monoisotopic mass336.099762 Da
  • ChemSpider ID35517121

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,8R,8aS)-2,8-Dihydroxy-2,3,8,8a-tetrahydro-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, 2,3,8,8a-tetrahydro-2,8-dihydroxy-, (2R,8R,8aS)- [ACD/Index Name]
Palmarumycin P4

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

Density: 1.5±0.1 g/cm3
Boiling Point: 660.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 245.9±25.0 °C
Index of Refraction: 1.746
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.58
ACD/KOC (pH 5.5): 903.43
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.58
ACD/KOC (pH 7.4): 903.42
Polar Surface Area: 76 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 223.5±5.0 cm3

Click to predict properties on the Chemicalize site


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