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Search term: 74852191 (Found by CSID)
ChemSpider 2D Image | 3-Hydroxy-4-(sulfooxy)-5-[(2,3,4,5-tetrahydroxybenzoyl)oxy]benzoic acid | C14H10O13S

3-Hydroxy-4-(sulfooxy)-5-[(2,3,4,5-tetrahydroxybenzoyl)oxy]benzoic acid

  • Molecular FormulaC14H10O13S
  • Average mass418.286 Da
  • Monoisotopic mass417.984222 Da
  • ChemSpider ID74852191

More details:

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

3-Hydroxy-4-(sulfooxy)-5-[(2,3,4,5-tetrahydroxybenzoyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
3-Hydroxy-4-(sulfooxy)-5-[(2,3,4,5-tetrahydroxybenzoyl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 3-hydroxy-4-(sulfooxy)-5-[(2,3,4,5-tétrahydroxybenzoyl)oxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,3,4,5-tetrahydroxy-, 5-carboxy-3-hydroxy-2-(sulfooxy)phenyl ester [ACD/Index Name]
3-hydroxy-4-(sulfooxy)-5-(2,3,4,5-tetrahydroxybenzoyloxy)benzoic acid

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

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.762
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -4.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 237 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 138.8±3.0 dyne/cm
Molar Volume: 203.6±3.0 cm3

Click to predict properties on the Chemicalize site


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