ChemSpider 2D Image | (2R,2'R,3'S,8'R)-3',4,5',6-Tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H,3H-spiro[1-benzofuran-2,9'-furo[2,3-h]chromen]-3-one | C30H22O10

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

  • Molecular FormulaC30H22O10
  • Average mass542.490 Da
  • Monoisotopic mass542.121277 Da
  • ChemSpider ID349985

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'R,3'S,8'R)-3',4,5',6-Tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-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-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-, (2R,2'R,3'S,8'R)- [ACD/Index Name]
Genkwanol A

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

MLS000574918 [DBID]
NSC698799 [DBID]
SMR000156236 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 909.3±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: 307.6±27.8 °C
Index of Refraction: 1.850
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 213.96
ACD/KOC (pH 5.5): 1591.32
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 31.43
ACD/KOC (pH 7.4): 233.75
Polar Surface Area: 166 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 122.2±5.0 dyne/cm
Molar Volume: 306.6±5.0 cm3

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