ChemSpider 2D Image | Methyl b-neuraminic acid methyl ester | C11H21NO8

Methyl b-neuraminic acid methyl ester

  • Molecular FormulaC11H21NO8
  • Average mass295.286 Da
  • Monoisotopic mass295.126709 Da
  • ChemSpider ID32696918

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6R)-5-Amino-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-thréo-hex-2-ulopyranosidonate de diméthyle [French] [ACD/IUPAC Name]
56070-37-2 [RN]
D-glycero-β-D-galacto-2-Nonulopyranosidonic acid, methyl 5-amino-3,5-dideoxy-, methyl ester [ACD/Index Name]
Dimethyl (6R)-5-amino-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranosidonate [ACD/IUPAC Name]
Dimethyl-(6R)-5-amino-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranosidonat [German] [ACD/IUPAC Name]
Methyl b-neuraminic acid methyl ester
2-O-Methyl β-Neuraminic Acid Methyl Ester
Methyl β-neuraminic acid methyl ester
METHYLB-NEURAMINICACIDMETHYLESTER
MFCD04039612 [MDL number]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 544.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 283.0±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 204.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement