ChemSpider 2D Image | 2,2'-(5,5',10,10'-Tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-3,3',4,4',6,6',9,9'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl)diacetic acid | C32H26O14

2,2'-(5,5',10,10'-Tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-3,3',4,4',6,6',9,9'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl)diacetic acid

  • Molecular FormulaC32H26O14
  • Average mass634.540 Da
  • Monoisotopic mass634.132263 Da
  • ChemSpider ID4588894

More details:

Featured data source
The Merck Index Online

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

[8,8'-Bi-1H-naphtho[2,3-c]pyran]-3,3'-diacetic acid, 3,3',4,4',6,6',9,9'-octahydro-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo- [ACD/Index Name]
2,2'-(5,5',10,10'-Tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-3,3',4,4',6,6',9,9'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromen-3,3'-diyl)diessigsäure [German] [ACD/IUPAC Name]
2,2'-(5,5',10,10'-Tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-3,3',4,4',6,6',9,9'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl)diacetic acid [ACD/IUPAC Name]
Acide 2,2'-(5,5',10,10'-tétrahydroxy-1,1'-diméthyl-6,6',9,9'-tétraoxo-3,3',4,4',6,6',9,9'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromène-3,3'-diyl)diacétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 918.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.9±3.0 kJ/mol
Flash Point: 299.9±27.8 °C
Index of Refraction: 1.700
Molar Refractivity: 150.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.63
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 84.0±3.0 dyne/cm
Molar Volume: 388.6±3.0 cm3

Click to predict properties on the Chemicalize site


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