ChemSpider 2D Image | (7bR,12bS,13R,14cS)-1,3,4,13-Tetrahydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one | C23H16O6

(7bR,12bS,13R,14cS)-1,3,4,13-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 ID23322893

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7bR,12bS,13R,14cS)-1,3,4,13-Tetrahydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-on [German] [ACD/IUPAC Name]
(7bR,12bS,13R,14cS)-1,3,4,13-Tetrahydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one [ACD/IUPAC Name]
(7bR,12bS,13R,14cS)-1,3,4,13-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-1,3,4,13-tetrahydroxy-, (7bR,12bS,13R,14cS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL403411/
ohioensin G

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

Density: 1.6±0.1 g/cm3
Boiling Point: 679.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 246.2±25.0 °C
Index of Refraction: 1.787
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 979.42
ACD/KOC (pH 5.5): 4758.69
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 219.05
ACD/KOC (pH 7.4): 1064.31
Polar Surface Area: 107 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 86.1±3.0 dyne/cm
Molar Volume: 241.6±3.0 cm3

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