ChemSpider 2D Image | 2-[3,4-Dihydroxy-5-(sulfooxy)phenyl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | C22H16O15S

2-[3,4-Dihydroxy-5-(sulfooxy)phenyl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC22H16O15S
  • Average mass552.418 Da
  • Monoisotopic mass552.020996 Da
  • ChemSpider ID35013066

More details:

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

2-[3,4-Dihydroxy-5-(sulfooxy)phenyl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
2-[3,4-Dihydroxy-5-(sulfooxy)phenyl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de 2-[3,4-dihydroxy-5-(sulfooxy)phényl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 2-[3,4-dihydroxy-5-(sulfooxy)phenyl]-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-3-yl ester [ACD/Index Name]
{5-[5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}oxidanesulfonic acid
{5-[5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}oxidanesulfonic acid
87388-96-3 [RN]
Myricatin

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: 1.867
Molar Refractivity: 119.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.92
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 170.0±5.0 dyne/cm
Molar Volume: 262.8±5.0 cm3

Click to predict properties on the Chemicalize site


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