ChemSpider 2D Image | Methyl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-3-(glycyloxy)-1,2-dihydroxypropyl]-L-threo-hex-2-ulopyranosonate | C14H24N2O10

Methyl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-3-(glycyloxy)-1,2-dihydroxypropyl]-L-threo-hex-2-ulopyranosonate

  • Molecular FormulaC14H24N2O10
  • Average mass380.348 Da
  • Monoisotopic mass380.143097 Da
  • ChemSpider ID67027646

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-3-(glycyloxy)-1,2-dihydroxypropyl]-L-thréo-hex-2-ulopyranosonate de méthyle [French] [ACD/IUPAC Name]
D-glycero-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, methyl ester, 9-(2-aminoacetate) [ACD/Index Name]
Methyl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-3-(glycyloxy)-1,2-dihydroxypropyl]-L-threo-hex-2-ulopyranosonate [ACD/IUPAC Name]
Methyl-(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-3-(glycyloxy)-1,2-dihydroxypropyl]-L-threo-hex-2-ulopyranosonat [German] [ACD/IUPAC Name]
methyl 9-O-glycyl-N-acetylneuraminate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 678.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±6.0 kJ/mol
Flash Point: 363.9±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 83.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.43
ACD/LogD (pH 5.5): -4.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 254.6±5.0 cm3

Click to predict properties on the Chemicalize site


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