ChemSpider 2D Image | (2R)-2-{2',6-Dihydroxy-5'-[(2R)-7-hydroxy-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-3-biphenylyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one | C31H24O10

(2R)-2-{2',6-Dihydroxy-5'-[(2R)-7-hydroxy-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-3-biphenylyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC31H24O10
  • Average mass556.516 Da
  • Monoisotopic mass556.136963 Da
  • ChemSpider ID9759630

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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(2R)-2-{2',6-Dihydroxy-5'-[(2R)-7-hydroxy-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-3-biphenylyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R)-2-{2',6-Dihydroxy-5'-[(2R)-7-hydroxy-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-3-biphenylyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R)-2-{2',6-Dihydroxy-5'-[(2R)-7-hydroxy-5-méthoxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-3-biphénylyl}-5,7-dihydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[5'-[(2R)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2',6-dihydroxy[1,1'-biphenyl]-3-yl]-2,3-dihydro-7-hydroxy-5-methoxy-, (2R)- [ACD/Index Name]
thuidinin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 921.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.5±3.0 kJ/mol
Flash Point: 307.7±27.8 °C
Index of Refraction: 1.709
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1328.64
ACD/KOC (pH 5.5): 5916.76
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 180.14
ACD/KOC (pH 7.4): 802.19
Polar Surface Area: 163 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 74.5±3.0 dyne/cm
Molar Volume: 368.0±3.0 cm3

Click to predict properties on the Chemicalize site


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