ChemSpider 2D Image | (1R,3R,6S,9R)-9-(Hydroxymethyl)-6-methyl-4-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-1-yl beta-D-glucopyranoside | C16H24O9

(1R,3R,6S,9R)-9-(Hydroxymethyl)-6-methyl-4-oxo-7-oxatricyclo[4.3.0.03,9]non-1-yl β-D-glucopyranoside

  • Molecular FormulaC16H24O9
  • Average mass360.356 Da
  • Monoisotopic mass360.142029 Da
  • ChemSpider ID62564429

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,3R,6S,9R)-9-(Hydroxymethyl)-6-methyl-4-oxo-7-oxatricyclo[4.3.0.03,9]non-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1R,3R,6S,9R)-9-(Hydroxymethyl)-6-methyl-4-oxo-7-oxatricyclo[4.3.0.03,9]non-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
7-Oxatricyclo[4.3.0.03,9]nonan-4-one, 1-(β-D-glucopyranosyloxy)-9-(hydroxymethyl)-6-methyl-, (1R,3R,6S,9R)- [ACD/Index Name]
β-D-Glucopyranoside de (1R,3R,6S,9R)-9-(hydroxyméthyl)-6-méthyl-4-oxo-7-oxatricyclo[4.3.0.03,9]non-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 600.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 220.6±25.0 °C
Index of Refraction: 1.640
Molar Refractivity: 80.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.33
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 84.6±5.0 dyne/cm
Molar Volume: 224.5±5.0 cm3

Click to predict properties on the Chemicalize site


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