ChemSpider 2D Image | (1S,2R,6S)-11-Oxobicyclo[4.4.1]undeca-3,7,9-trien-2-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C25H30O11

(1S,2R,6S)-11-Oxobicyclo[4.4.1]undeca-3,7,9-trien-2-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID8919502

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,6S)-11-Oxobicyclo[4.4.1]undeca-3,7,9-trien-2-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2R,6S)-11-Oxobicyclo[4.4.1]undeca-3,7,9-trien-2-yl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de (1S,2R,6S)-11-oxobicyclo[4.4.1]undéca-3,7,9-trién-2-yle [French] [ACD/IUPAC Name]
Bicyclo[4.4.1]undeca-2,4,8-trien-11-one, 7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, (1S,6S,7R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 252.7±30.2 °C
Index of Refraction: 1.544
Molar Refractivity: 122.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.92
ACD/KOC (pH 5.5): 521.70
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.92
ACD/KOC (pH 7.4): 521.70
Polar Surface Area: 141 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 387.3±5.0 cm3

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