ChemSpider 2D Image | (2S,2'R,3'S,4R)-2,2'-Bis(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3',5,5',7,7'-pentol | C30H26O9

(2S,2'R,3'S,4R)-2,2'-Bis(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3',5,5',7,7'-pentol

  • Molecular FormulaC30H26O9
  • Average mass530.522 Da
  • Monoisotopic mass530.157654 Da
  • ChemSpider ID29416781

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,2'R,3'S,4R)-2,2'-Bis(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromen-3',5,5',7,7'-pentol [German] [ACD/IUPAC Name]
(2S,2'R,3'S,4R)-2,2'-Bis(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3',5,5',7,7'-pentol [ACD/IUPAC Name]
(2S,2'R,3'S,4R)-2,2'-Bis(4-hydroxyphényl)-3,3',4,4'-tétrahydro-2H,2'H-4,8'-bichromène-3',5,5',7,7'-pentol [French] [ACD/IUPAC Name]
[4,8'-Bi-2H-1-benzopyran]-3',5,5',7,7'-pentol, 3,3',4,4'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-, (2S,2'R,3'S,4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 847.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 466.4±34.3 °C
Index of Refraction: 1.745
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.67
ACD/KOC (pH 5.5): 1236.56
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 141.79
ACD/KOC (pH 7.4): 1195.45
Polar Surface Area: 160 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 84.2±3.0 dyne/cm
Molar Volume: 345.3±3.0 cm3

Click to predict properties on the Chemicalize site


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