ChemSpider 2D Image | 6-deoxy-D-glucos-6-yl (2R,3R)-corynomycolate | C38H74O8

6-deoxy-D-glucos-6-yl (2R,3R)-corynomycolate

  • Molecular FormulaC38H74O8
  • Average mass658.989 Da
  • Monoisotopic mass658.538391 Da
  • ChemSpider ID30786374

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

6-deoxy-D-glucos-6-yl (2R,3R)-corynomycolate
6-O-[(2R,3R)-3-Hydroxy-2-tetradecyloctadecanoyl]-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-[(2R,3R)-3-Hydroxy-2-tetradecyloctadecanoyl]-D-glucopyranose [ACD/IUPAC Name]
6-O-[(2R,3R)-3-Hydroxy-2-tétradécyloctadecanoyl]-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 6-O-[(2R,3R)-3-hydroxy-1-oxo-2-tetradecyloctadecyl]- [ACD/Index Name]
(C32) glucose (2R,3R)-monomycolate
(C32) glucose monomycolate
6-O-[ (2R,3R)-3-hydroxy-2-tetradecyloctadecanoyl]-D-glucopyranose
C32 (2R,3R)-GMM
C32 GMM
More...
  • Miscellaneous

    • Chemical Class:

      6-deoxy-<stereo>D</stereo>-glucos-6-yl corynomycolate in which the configurations at the 2- and 3-positions of the corynomycolate moiety are both <stereo>R</stereo>. ChEBI CHEBI:77816
      6-deoxy-D-glucos-6-yl corynomycolate in which the configurations at the 2- and 3-positions of the corynomycolate moiety are both R. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77816
      6-Deoxy-D-glucos-6-yl corynomycolate in which the configurations at the 2- and 3-positions of the corynomycolate moiety are both R. ChEBI CHEBI:77816

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

Density: 1.0±0.1 g/cm3
Boiling Point: 743.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 212.5±26.4 °C
Index of Refraction: 1.500
Molar Refractivity: 187.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: 13.61
ACD/LogD (pH 5.5): 11.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 137 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 636.5±3.0 cm3

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