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

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

  • Molecular FormulaC30H22O10
  • Average mass542.490 Da
  • Monoisotopic mass542.121277 Da
  • ChemSpider ID23327080

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'R,3S,3'R)-3',4,5',6-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H-spiro[1-benzofuran-3,9'-furo[2,3-h]chromen]-8'-one [ACD/IUPAC Name]
Spiro[benzofuran-3(2H),9'(8'H)-[2H]furo[2,3-h][1]benzopyran]-8'-one, 3',4'-dihydro-3',4,5',6-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2R,2'R,3S,3'R)- [ACD/Index Name]
(2R,2'R,3S,3'R)-3',4,5',6-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)spiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-one
1190070-91-7 [RN]
Abiesinol F
AbiesinolF
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL481072/
larixinol
MFCD26406165

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

Density: 1.8±0.1 g/cm3
Boiling Point: 851.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.6±3.0 kJ/mol
Flash Point: 287.8±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: 2.47
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.04
ACD/KOC (pH 5.5): 297.20
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 15.05
ACD/KOC (pH 7.4): 223.16
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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