ChemSpider 2D Image | 6-[(1S,2R)-2,5-Dihydroxy-4-oxo-2-phenyl-1,2,3,4-tetrahydro-1-naphthalenyl]-3-{[6-(4,5-dihydroxy-2-phenyl-1-naphthyl)-4-hydroxy-2-oxo-2H-pyran-3-yl]methyl}-4-hydroxy-2H-pyran-2-one | C43H30O11

6-[(1S,2R)-2,5-Dihydroxy-4-oxo-2-phenyl-1,2,3,4-tetrahydro-1-naphthalenyl]-3-{[6-(4,5-dihydroxy-2-phenyl-1-naphthyl)-4-hydroxy-2-oxo-2H-pyran-3-yl]methyl}-4-hydroxy-2H-pyran-2-one

  • Molecular FormulaC43H30O11
  • Average mass722.692 Da
  • Monoisotopic mass722.178833 Da
  • ChemSpider ID58196593

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-Pyran-2-one, 6-(4,5-dihydroxy-2-phenyl-1-naphthalenyl)-4-hydroxy-3-[[4-hydroxy-2-oxo-6-[(1S,2R)-1,2,3,4-tetrahydro-2,5-dihydroxy-4-oxo-2-phenyl-1-naphthalenyl]-2H-pyran-3-yl]methyl]- [ACD/Index Name]
6-[(1S,2R)-2,5-Dihydroxy-4-oxo-2-phényl-1,2,3,4-tétrahydro-1-naphtalényl]-3-{[6-(4,5-dihydroxy-2-phényl-1-naphtyl)-4-hydroxy-2-oxo-2H-pyran-3-yl]méthyl}-4-hydroxy-2H-pyran-2-one [French] [ACD/IUPAC Name]
6-[(1S,2R)-2,5-Dihydroxy-4-oxo-2-phenyl-1,2,3,4-tetrahydro-1-naphthalenyl]-3-{[6-(4,5-dihydroxy-2-phenyl-1-naphthyl)-4-hydroxy-2-oxo-2H-pyran-3-yl]methyl}-4-hydroxy-2H-pyran-2-one [ACD/IUPAC Name]
6-[(1S,2R)-2,5-Dihydroxy-4-oxo-2-phenyl-1,2,3,4-tetrahydro-1-naphthalinyl]-3-{[6-(4,5-dihydroxy-2-phenyl-1-naphthyl)-4-hydroxy-2-oxo-2H-pyran-3-yl]methyl}-4-hydroxy-2H-pyran-2-on [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 998.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.6±3.0 kJ/mol
Flash Point: 311.8±27.8 °C
Index of Refraction: 1.779
Molar Refractivity: 193.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 739.22
ACD/KOC (pH 5.5): 1408.76
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 88.1±3.0 dyne/cm
Molar Volume: 461.6±3.0 cm3

Click to predict properties on the Chemicalize site


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