ChemSpider 2D Image | (8S)-4,8-Dihydroxy-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside | C23H24O13

(8S)-4,8-Dihydroxy-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC23H24O13
  • Average mass508.429 Da
  • Monoisotopic mass508.121704 Da
  • ChemSpider ID8521614

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8S)-4,8-Dihydroxy-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(8S)-4,8-Dihydroxy-5-oxo-5,6,7,8-tetrahydro-1-naphthalinyl-6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1(2H)-Naphthalenone, 3,4-dihydro-4,8-dihydroxy-5-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-, (4S)- [ACD/Index Name]
6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranoside de (8S)-4,8-dihydroxy-5-oxo-5,6,7,8-tétrahydro-1-naphtalényle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 916.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 315.5±27.8 °C
Index of Refraction: 1.729
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.56
ACD/KOC (pH 5.5): 68.08
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 40.42
Polar Surface Area: 224 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 104.3±3.0 dyne/cm
Molar Volume: 295.3±3.0 cm3

Click to predict properties on the Chemicalize site


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