ChemSpider 2D Image | (1R,2R,6S)-11-Oxobicyclo[4.4.1]undec-2-yl 2,3,4,6-tetra-O-benzoyl-alpha-D-glucopyranoside | C45H44O11

(1R,2R,6S)-11-Oxobicyclo[4.4.1]undec-2-yl 2,3,4,6-tetra-O-benzoyl-α-D-glucopyranoside

  • Molecular FormulaC45H44O11
  • Average mass760.824 Da
  • Monoisotopic mass760.288391 Da
  • ChemSpider ID8684745

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,6S)-11-Oxobicyclo[4.4.1]undec-2-yl 2,3,4,6-tetra-O-benzoyl-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,6S)-11-Oxobicyclo[4.4.1]undec-2-yl-2,3,4,6-tetra-O-benzoyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-benzoyl-α-D-glucopyranoside de (1R,2R,6S)-11-oxobicyclo[4.4.1]undéc-2-yle [French] [ACD/IUPAC Name]
Bicyclo[4.4.1]undecan-11-one, 2-[(2,3,4,6-tetra-O-benzoyl-α-D-glucopyranosyl)oxy]-, (1R,2R,6S)- [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: 849.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 338.2±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 202.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 11.72
ACD/LogD (pH 5.5): 9.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4051759.00
ACD/LogD (pH 7.4): 9.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4051759.00
Polar Surface Area: 141 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 575.1±5.0 cm3

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