ChemSpider 2D Image | 1,2,3,4,6-Pentakis-O-{3-[(3,4-dihydroxy-5-oxidobenzoyl)oxy]-4,5-dihydroxybenzoyl}hexopyranose | C76H47O46

1,2,3,4,6-Pentakis-O-{3-[(3,4-dihydroxy-5-oxidobenzoyl)oxy]-4,5-dihydroxybenzoyl}hexopyranose

  • Molecular FormulaC76H47O46
  • Average mass1696.161 Da
  • Monoisotopic mass1695.136597 Da
  • ChemSpider ID21232957

  • Charge - Charge

More details:

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

1,2,3,4,6-Pentakis-O-{3-[(3,4-dihydroxy-5-oxidobenzoyl)oxy]-4,5-dihydroxybenzoyl}hexopyranose [ACD/IUPAC Name]
1,2,3,4,6-Pentakis-O-{3-[(3,4-dihydroxy-5-oxidobenzoyl)oxy]-4,5-dihydroxybenzoyl}hexopyranose [German] [ACD/IUPAC Name]
1,2,3,4,6-Pentakis-O-{3-[(3,4-dihydroxy-5-oxydobenzoyl)oxy]-4,5-dihydroxybenzoyl}hexopyranose [French] [ACD/IUPAC Name]
Hexopyranosato(5-), pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate], ion(5-) [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 46
#H bond donors: 25
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 4
ACD/LogP: 13.33
ACD/LogD (pH 5.5): 9.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2546817.00
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 792 Å2
Polarizability:
Surface Tension:
Molar Volume:

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