Found 1 result

Search term: QPKCEEFQPFTYIX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1,3,5-Trihydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one | C23H16O5

1,3,5-Trihydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one

  • Molecular FormulaC23H16O5
  • Average mass372.370 Da
  • Monoisotopic mass372.099762 Da
  • ChemSpider ID24629368

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,3,5-Trihydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-on [German] [ACD/IUPAC Name]
1,3,5-Trihydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one [ACD/IUPAC Name]
1,3,5-Trihydroxy-7b,12b,13,14c-tétrahydro-14H-benzo[c]naphto[2,1,8-mna]xanthén-14-one [French] [ACD/IUPAC Name]
14H-Benzo[c]naphtho[2,1,8-mna]xanthen-14-one, 7b,12b,13,14c-tetrahydro-1,3,5-trihydroxy- [ACD/Index 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: 631.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 229.3±25.0 °C
Index of Refraction: 1.758
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4672.35
ACD/KOC (pH 5.5): 14614.71
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1408.88
ACD/KOC (pH 7.4): 4406.85
Polar Surface Area: 87 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 244.6±3.0 cm3

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