ChemSpider 2D Image | Methyl (2S)-2-acetamido-3-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}propanoate (non-preferred name) | C14H24N2O9

Methyl (2S)-2-acetamido-3-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}propanoate (non-preferred name)

  • Molecular FormulaC14H24N2O9
  • Average mass364.348 Da
  • Monoisotopic mass364.148193 Da
  • ChemSpider ID57487468
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2S)-2-Acétamido-3-{[(2S,3R,4R,5R,6R)-3-acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}propanoate de méthyle (non-preferred name) [French] [ACD/IUPAC Name]
Methyl (2S)-2-acetamido-3-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}propanoate (non-preferred name) [ACD/IUPAC Name]
Methyl-(2S)-2-acetamido-3-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}propanoat (non-preferred name) [German] [ACD/IUPAC Name]
α-D-Galactopyranoside, (2S)-2-(acetylamino)-3-methoxy-3-oxopropyl 2-(acetylamino)-2-deoxy- [ACD/Index Name]
O-(2-ACETAMIDO-2-DEOXY-A-GALACTOPYRANOSYL)-(1-3)-N-ACETYLSERINE METHYL ESTER

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 738.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 400.5±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 82.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.54
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.54
Polar Surface Area: 164 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 261.4±5.0 cm3

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