ChemSpider 2D Image | Ethyl {[{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-4-yl]oxy}(4-methoxyphenoxy)phosphoryl](methyl)amino}acetate | C21H33N2O11P

Ethyl {[{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-4-yl]oxy}(4-methoxyphenoxy)phosphoryl](methyl)amino}acetate

  • Molecular FormulaC21H33N2O11P
  • Average mass520.467 Da
  • Monoisotopic mass520.182190 Da
  • ChemSpider ID28518651

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

{[{[(2S,3R,4R,5R,6R)-3-Acétamido-5-hydroxy-6-(hydroxyméthyl)-2-méthoxytétrahydro-2H-pyran-4-yl]oxy}(4-méthoxyphénoxy)phosphoryl](méthyl)amino}acétate d'éthyle [French] [ACD/IUPAC Name]
Ethyl {[{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-4-yl]oxy}(4-methoxyphenoxy)phosphoryl](methyl)amino}acetate [ACD/IUPAC Name]
Ethyl-{[{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-4-yl]oxy}(4-methoxyphenoxy)phosphoryl](methyl)amino}acetat [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, methyl 2-(acetylamino)-2-deoxy-3-O-[[(2-ethoxy-2-oxoethyl)methylamino](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: 1.550
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.82
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.82
Polar Surface Area: 172 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 383.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement