ChemSpider 2D Image | L-idopyranose 6-monomycolate | C66H126O8

L-idopyranose 6-monomycolate

  • Molecular FormulaC66H126O8
  • Average mass1047.702 Da
  • Monoisotopic mass1046.945313 Da
  • ChemSpider ID4450638

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

6-O-[(2R,3R,23Z,33Z)-3-Hydroxy-2-octyl-23,33-dopentacontadienoyl]-α-L-idopyranose [German] [ACD/IUPAC Name]
6-O-[(2R,3R,23Z,33Z)-3-Hydroxy-2-octyl-23,33-dopentacontadienoyl]-α-L-idopyranose [ACD/IUPAC Name]
6-O-[(2R,3R,23Z,33Z)-3-Hydroxy-2-octyl-23,33-dopentacontadienoyl]-α-L-idopyranose [French] [ACD/IUPAC Name]
L-idopyranose 6-monomycolate
α-L-Idopyranose, 6-O-[(2R,3R,23Z,33Z)-3-hydroxy-2-octyl-1-oxo-23,33-dopentacontadien-1-yl]- [ACD/Index Name]
6-O-[(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl]-α-L-idopyranose
GLUCOSE MONOMYCOLATE
GMM
L-idopyranose 6-monomycolatelucose monomycolate
  • Miscellaneous

    • Chemical Class:

      A monosaccharide derivative that is the 6-<element>O</element>-(2<stereo>R</stereo>,3<stereo>R</stereo>,23<stereo>Z</stereo>,33<stereo>Z</stereo>)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl derivativ e of <stereo>alpha</stereo>-<stereo>L</stereo>-idopyranose ChEBI CHEBI:42782
      A monosaccharide derivative that is the 6-O-(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl derivativ; e of alpha-L-idopyranose ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42782
      A monosaccharide derivative that is the 6-O-(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl derivative of alpha-L-idopyranose ChEBI CHEBI:42782

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

Density: 1.0±0.1 g/cm3
Boiling Point: 970.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.3±6.0 kJ/mol
Flash Point: 239.8±27.8 °C
Index of Refraction: 1.496
Molar Refractivity: 317.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 58
#Rule of 5 Violations: 3
ACD/LogP: 27.45
ACD/LogD (pH 5.5): 23.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 137 Å2
Polarizability: 125.7±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 1085.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement