ChemSpider 2D Image | Methyl (2S)-2-{[{[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}(4-methoxyphenoxy)phosphoryl]amino}-3-methylbutanoate | C21H33N2O11P

Methyl (2S)-2-{[{[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}(4-methoxyphenoxy)phosphoryl]amino}-3-methylbutanoate

  • Molecular FormulaC21H33N2O11P
  • Average mass520.467 Da
  • Monoisotopic mass520.182190 Da
  • ChemSpider ID28515491

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S)-2-{[{[(2S,3R,4R,5R,6R)-3-Acétamido-2,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}(4-méthoxyphénoxy)phosphoryl]amino}-3-méthylbutanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2S)-2-{[{[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}(4-methoxyphenoxy)phosphoryl]amino}-3-methylbutanoate [ACD/IUPAC Name]
Methyl-(2S)-2-{[{[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}(4-methoxyphenoxy)phosphoryl]amino}-3-methylbutanoat [German] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-(acetylamino)-2-deoxy-3-O-[[[(1S)-1-(methoxycarbonyl)-2-methylpropyl]amino](4-methoxyphenoxy)phosphinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.559
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.81
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.81
Polar Surface Area: 192 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 376.9±5.0 cm3

Click to predict properties on the Chemicalize site


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