ChemSpider 2D Image | (2S)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoic acid | C14H24N2O9

(2S)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoic acid

  • Molecular FormulaC14H24N2O9
  • Average mass364.348 Da
  • Monoisotopic mass364.148193 Da
  • ChemSpider ID18893520
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(2S)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoic acid [ACD/IUPAC Name]
(2S)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-[(2-{[(2S,3R,4R,5S,6R)-3-acétamido-2,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoïque [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-(acetylamino)-3-O-[2-[[(1S)-1-carboxyethyl]amino]-1-methyl-2-oxoethyl]-2-deoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 430.1±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 81.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -4.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 253.3±5.0 cm3

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