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Search term: 76117768 (Found by CSID)
ChemSpider 2D Image | peninaphone B | C15H14O5

peninaphone B

  • Molecular FormulaC15H14O5
  • Average mass274.269 Da
  • Monoisotopic mass274.084137 Da
  • ChemSpider ID76117768

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-5,6,8-Trihydroxy-2,3-dimethyl-2,3-dihydro-4H-benzo[g]chromen-4-on [German] [ACD/IUPAC Name]
(2S,3S)-5,6,8-Trihydroxy-2,3-dimethyl-2,3-dihydro-4H-benzo[g]chromen-4-one [ACD/IUPAC Name]
(2S,3S)-5,6,8-Trihydroxy-2,3-diméthyl-2,3-dihydro-4H-benzo[g]chromén-4-one [French] [ACD/IUPAC Name]
4H-Naphtho[2,3-b]pyran-4-one, 2,3-dihydro-5,6,8-trihydroxy-2,3-dimethyl-, (2S,3S)- [ACD/Index Name]
peninaphone B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 484.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 185.6±22.2 °C
Index of Refraction: 1.681
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 8.79
ACD/KOC (pH 5.5): 80.07
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 87 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 193.2±3.0 cm3

Click to predict properties on the Chemicalize site


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