ChemSpider 2D Image | 3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl hexopyranoside | C16H16O9

3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl hexopyranoside

  • Molecular FormulaC16H16O9
  • Average mass352.293 Da
  • Monoisotopic mass352.079437 Da
  • ChemSpider ID21542515

More details:

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

1,4-Naphthalenedione, 2-(hexopyranosyloxy)-3-hydroxy- [ACD/Index Name]
3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl hexopyranoside [ACD/IUPAC Name]
3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinylhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside de 3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényle [French] [ACD/IUPAC Name]
2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-2-yloxy)]naphthalene-1,4-dione
3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl hexopyranoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 652.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 243.2±25.0 °C
Index of Refraction: 1.703
Molar Refractivity: 79.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.87
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 100.0±5.0 dyne/cm
Molar Volume: 205.4±5.0 cm3

Click to predict properties on the Chemicalize site


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