ChemSpider 2D Image | 1,3-Benzodioxol-4-yl beta-D-glucopyranoside | C13H16O8

1,3-Benzodioxol-4-yl β-D-glucopyranoside

  • Molecular FormulaC13H16O8
  • Average mass300.261 Da
  • Monoisotopic mass300.084503 Da
  • ChemSpider ID57422545

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-(2H-1,3-benzodioxol-4-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
1,3-Benzodioxol-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
1,3-Benzodioxol-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1955474-56-2 [RN]
β-D-Glucopyranoside de 1,3-benzodioxol-4-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 1,3-benzodioxol-4-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-(1,3-dioxaindan-4-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2S,3R,4S,5S,6R)-2-(Benzo[d][1,3]dioxol-4-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
MFCD29917139

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

Density: 1.6±0.1 g/cm3
Boiling Point: 536.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.5±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.87
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.87
Polar Surface Area: 118 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 187.7±3.0 cm3

Click to predict properties on the Chemicalize site


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