ChemSpider 2D Image | D-gamma-Glutamyl-N-[(2S,3R)-3-methoxy-2-methyl-4-oxo-1-sulfo-3-azetidinyl]-D-alaninamide | C13H22N4O9S

D-γ-Glutamyl-N-[(2S,3R)-3-methoxy-2-methyl-4-oxo-1-sulfo-3-azetidinyl]-D-alaninamide

  • Molecular FormulaC13H22N4O9S
  • Average mass410.400 Da
  • Monoisotopic mass410.110748 Da
  • ChemSpider ID52082516

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

113784-28-4 [RN]
D-Alaninamide, D-γ-glutamyl-N-[(2S,3R)-3-methoxy-2-methyl-4-oxo-1-sulfo-3-azetidinyl]- [ACD/Index Name]
D-γ-Glutamyl-N-[(2S,3R)-3-methoxy-2-methyl-4-oxo-1-sulfo-3-azetidinyl]-D-alaninamid [German] [ACD/IUPAC Name]
D-γ-Glutamyl-N-[(2S,3R)-3-methoxy-2-methyl-4-oxo-1-sulfo-3-azetidinyl]-D-alaninamide [ACD/IUPAC Name]
D-γ-Glutamyl-N-[(2S,3R)-3-méthoxy-2-méthyl-4-oxo-1-sulfo-3-azétidinyl]-D-alaninamide [French] [ACD/IUPAC Name]

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

MM 42842 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.14
ACD/LogD (pH 5.5): -6.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 260.2±5.0 cm3

Click to predict properties on the Chemicalize site


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