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Search term: 74852172 (Found by CSID)
ChemSpider 2D Image | N-[3-({3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-2,4,5-trihydroxybenzoyl]glycine | C23H17NO15

N-[3-({3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-2,4,5-trihydroxybenzoyl]glycine

  • Molecular FormulaC23H17NO15
  • Average mass547.379 Da
  • Monoisotopic mass547.059814 Da
  • ChemSpider ID74852172

More details:

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

Benzoic acid, 3,4,5-trihydroxy-, 5-[[3-[[(carboxymethyl)amino]carbonyl]-2,5,6-trihydroxyphenoxy]carbonyl]-2,3-dihydroxyphenyl ester [ACD/Index Name]
N-[3-({3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-2,4,5-trihydroxybenzoyl]glycin [German] [ACD/IUPAC Name]
N-[3-({3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-2,4,5-trihydroxybenzoyl]glycine [ACD/IUPAC Name]
N-[3-({3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-2,4,5-trihydroxybenzoyl]glycine [French] [ACD/IUPAC Name]
[({3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl}(hydroxy)methylidene)amino]acetic acid
2-[({3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl}(hydroxy)methylidene)amino]acetic 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: 1.9±0.1 g/cm3
Boiling Point: 925.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.9±3.0 kJ/mol
Flash Point: 513.2±34.3 °C
Index of Refraction: 1.785
Molar Refractivity: 124.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 281 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 120.0±3.0 dyne/cm
Molar Volume: 295.2±3.0 cm3

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