ChemSpider 2D Image | 5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside | C23H24O13

5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC23H24O13
  • Average mass508.429 Da
  • Monoisotopic mass508.121704 Da
  • ChemSpider ID29814794

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1(2H)-Naphthalenone, 3,4-dihydro-5,8-dihydroxy-4-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalinyl-6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranoside de 5,8-dihydroxy-4-oxo-1,2,3,4-tétrahydro-1-naphtalényle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 849.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 292.6±27.8 °C
Index of Refraction: 1.754
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.39
ACD/KOC (pH 5.5): 222.52
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 8.82
ACD/KOC (pH 7.4): 146.55
Polar Surface Area: 224 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 123.2±5.0 dyne/cm
Molar Volume: 283.3±5.0 cm3

Click to predict properties on the Chemicalize site


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