ChemSpider 2D Image | 7-Acetyl-3,8-dihydroxy-6-methyl-1-naphthyl beta-D-glucopyranoside | C19H22O9

7-Acetyl-3,8-dihydroxy-6-methyl-1-naphthyl β-D-glucopyranoside

  • Molecular FormulaC19H22O9
  • Average mass394.373 Da
  • Monoisotopic mass394.126373 Da
  • ChemSpider ID62971953

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-[8-(β-D-Glucopyranosyloxy)-1,6-dihydroxy-3-methyl-2-naphthalenyl]ethanone
23566-96-3 [RN]
7-Acetyl-3,8-dihydroxy-6-methyl-1-naphthyl β-D-glucopyranoside [ACD/IUPAC Name]
7-Acetyl-3,8-dihydroxy-6-methyl-1-naphthyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[8-(β-D-glucopyranosyloxy)-1,6-dihydroxy-3-methyl-2-naphthalenyl]- [ACD/Index Name]
β-D-Glucopyranoside de 7-acétyl-3,8-dihydroxy-6-méthyl-1-naphtyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 712.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 256.1±26.4 °C
Index of Refraction: 1.698
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.57
ACD/KOC (pH 5.5): 47.84
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.92
Polar Surface Area: 157 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 255.3±3.0 cm3

Click to predict properties on the Chemicalize site


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