ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-3-O-(3,4,5-trihydroxybenzoyl)-alpha-L-mannopyranoside | C28H24O15

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-3-O-(3,4,5-trihydroxybenzoyl)-α-L-mannopyranoside

  • Molecular FormulaC28H24O15
  • Average mass600.481 Da
  • Monoisotopic mass600.111511 Da
  • ChemSpider ID22913155

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-3-O-(3,4,5-trihydroxybenzoyl)-α-L-mannopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-6-desoxy-3-O-(3,4,5-trihydroxybenzoyl)-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-deoxy-3-O-(3,4,5-trihydroxybenzoyl)-α-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- [ACD/Index Name]
6-Désoxy-3-O-(3,4,5-trihydroxybenzoyl)-α-L-mannopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
[(2S,3R,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 3,4,5-trihydroxybenzoate
3''-Galloylquercitrin
503446-90-0 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1072.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.6±3.0 kJ/mol
Flash Point: 355.7±27.8 °C
Index of Refraction: 1.815
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 34.18
ACD/KOC (pH 5.5): 412.20
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 12.32
Polar Surface Area: 253 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 136.3±5.0 dyne/cm
Molar Volume: 320.0±5.0 cm3

Click to predict properties on the Chemicalize site


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