ChemSpider 2D Image | (2S,2'R,8'R)-4,5',6-Trihydroxy-2',8'-bis(4-hydroxyphenyl)-8'-methoxy-3',4'-dihydro-2'H,3H-spiro[1-benzofuran-2,9'-furo[2,3-h]chromen]-3-one | C31H24O10

(2S,2'R,8'R)-4,5',6-Trihydroxy-2',8'-bis(4-hydroxyphenyl)-8'-methoxy-3',4'-dihydro-2'H,3H-spiro[1-benzofuran-2,9'-furo[2,3-h]chromen]-3-one

  • Molecular FormulaC31H24O10
  • Average mass556.516 Da
  • Monoisotopic mass556.136963 Da
  • ChemSpider ID28285823

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2S,2'R,8'R)-4,5',6-Trihydroxy-2',8'-bis(4-hydroxyphenyl)-8'-methoxy-3',4'-dihydro-2'H,3H-spiro[1-benzofuran-2,9'-furo[2,3-h]chromen]-3-one [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),9'(8'H)-[2H]furo[2,3-h][1]benzopyran]-3-one, 3',4'-dihydro-4,5',6-trihydroxy-2',8'-bis(4-hydroxyphenyl)-8'-methoxy-, (2S,2'R,8'R)- [ACD/Index Name]
2''-methoxydaphnodorin C

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

Density: 1.7±0.1 g/cm3
Boiling Point: 863.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 289.3±27.8 °C
Index of Refraction: 1.804
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1390.70
ACD/KOC (pH 5.5): 6055.54
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 173.16
ACD/KOC (pH 7.4): 754.01
Polar Surface Area: 155 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 107.0±5.0 dyne/cm
Molar Volume: 330.6±5.0 cm3

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