ChemSpider 2D Image | (7bR,12bR,14cS)-1,3,6,12b-Tetrahydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one | C23H16O6

(7bR,12bR,14cS)-1,3,6,12b-Tetrahydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one

  • Molecular FormulaC23H16O6
  • Average mass388.370 Da
  • Monoisotopic mass388.094696 Da
  • ChemSpider ID23322892

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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(7bR,12bR,14cS)-1,3,6,12b-Tetrahydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-on [German] [ACD/IUPAC Name]
(7bR,12bR,14cS)-1,3,6,12b-Tetrahydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one [ACD/IUPAC Name]
(7bR,12bR,14cS)-1,3,6,12b-Tétrahydroxy-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-1,3,6,12b-tetrahydroxy-, (7bR,12bR,14cS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL403094/
ohioensin F

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

Density: 1.6±0.1 g/cm3
Boiling Point: 697.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 253.0±25.0 °C
Index of Refraction: 1.810
Molar Refractivity: 102.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1025.99
ACD/KOC (pH 5.5): 4934.99
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 295.92
ACD/KOC (pH 7.4): 1423.35
Polar Surface Area: 107 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 94.2±3.0 dyne/cm
Molar Volume: 236.4±3.0 cm3

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