ChemSpider 2D Image | (3S,3'R,4S)-2,2'-Bis(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol | C30H26O14

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

  • Molecular FormulaC30H26O14
  • Average mass610.519 Da
  • Monoisotopic mass610.132263 Da
  • ChemSpider ID8591733

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

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

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

Density: 1.8±0.1 g/cm3
Boiling Point: 946.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 526.4±34.3 °C
Index of Refraction: 1.842
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 12
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.87
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.05
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.70
Polar Surface Area: 261 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 120.2±3.0 dyne/cm
Molar Volume: 336.0±3.0 cm3

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