ChemSpider 2D Image | beta-D-Mannopyranosyl-(1->3)-4,6-O-[(1R)-2-(carboxyoxy)-1-methyl-2-oxoethylidene]-beta-D-glucopyranosyl-(1->4)-3,6-dideoxy-3-methyl-alpha-L-mannopyranose | C23H36O18

β-D-Mannopyranosyl-(1->3)-4,6-O-[(1R)-2-(carboxyoxy)-1-methyl-2-oxoethylidene]-β-D-glucopyranosyl-(1->4)-3,6-dideoxy-3-methyl-α-L-mannopyranose

  • Molecular FormulaC23H36O18
  • Average mass600.521 Da
  • Monoisotopic mass600.190186 Da
  • ChemSpider ID2299675
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

α-L-Mannopyranose, O-β-D-mannopyranosyl-(1->3)-O-4,6-O-[(1R)-2-(carboxyoxy)-1-methyl-2-oxoethylidene]-β-D-glucopyranosyl-(1->4)-3,6-dideoxy-3-methyl- [ACD/Index Name]
β-D-Mannopyranosyl-(1->3)-4,6-O-[(1R)-2-(carboxyoxy)-1-methyl-2-oxoethyliden]-β-D-glucopyranosyl-(1->4)-3,6-didesoxy-3-methyl-α-L-mannopyranose [German] [ACD/IUPAC Name]
β-D-Mannopyranosyl-(1->3)-4,6-O-[(1R)-2-(carboxyoxy)-1-methyl-2-oxoethylidene]-β-D-glucopyranosyl-(1->4)-3,6-dideoxy-3-methyl-α-L-mannopyranose [ACD/IUPAC Name]
β-D-Mannopyranosyl-(1->3)-4,6-O-[(1R)-2-(carboxyoxy)-1-méthyl-2-oxoéthylidène]-β-D-glucopyranosyl-(1->4)-3,6-didésoxy-3-méthyl-α-L-mannopyranose [French] [ACD/IUPAC Name]
128531-82-8 [RN]
Eps I, pseudomonas
exopolysaccharide, Pseudomonas
Exopolysaccharide, pseudomonas aeruginosa
Exopolysaccharide, pseudomonas marginalis
PMEP
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 851.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.6±6.0 kJ/mol
Flash Point: 282.4±30.6 °C
Index of Refraction: 1.619
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -5.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 89.5±5.0 dyne/cm
Molar Volume: 360.4±5.0 cm3

Click to predict properties on the Chemicalize site






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