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Search term: IGSQOFHPQLBLHF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Sanguisorbic acid | C21H14O15

Sanguisorbic acid

  • Molecular FormulaC21H14O15
  • Average mass506.327 Da
  • Monoisotopic mass506.033264 Da
  • ChemSpider ID28190826

More details:

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

[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 3-(5-carboxy-2,3-dihydroxyphenoxy)-4,4',5,5',6,6'-hexahydroxy- [ACD/Index Name]
3-(5-Carboxy-2,3-dihydroxyphenoxy)-4,4',5,5',6,6'-hexahydroxy-2,2'-biphenyldicarbonsäure [German] [ACD/IUPAC Name]
3-(5-Carboxy-2,3-dihydroxyphenoxy)-4,4',5,5',6,6'-hexahydroxy-2,2'-biphenyldicarboxylic acid [ACD/IUPAC Name]
Acide 3-(5-carboxy-2,3-dihydroxyphénoxy)-4,4',5,5',6,6'-hexahydroxy-2,2'-biphényldicarboxylique [French] [ACD/IUPAC Name]
Sanguisorbic acid [Wiki]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 825.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 288.8±27.8 °C
Index of Refraction: 1.864
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 15
#H bond donors: 11
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -4.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 151.5±3.0 dyne/cm
Molar Volume: 250.3±3.0 cm3

Click to predict properties on the Chemicalize site


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