ChemSpider 2D Image | N-[2-(Acetylsulfanyl)ethyl]-N~3~-[2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-beta-alaninamide | C13H23N2O8PS

N-[2-(Acetylsulfanyl)ethyl]-N3-[2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide

  • Molecular FormulaC13H23N2O8PS
  • Average mass398.370 Da
  • Monoisotopic mass398.092377 Da
  • ChemSpider ID26331239

  • Charge - Charge

More details:

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

Ethanethioic acid, S-[2-[[3-[[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]amino]-1-oxopropyl]amino]ethyl] ester, ion(2-) [ACD/Index Name]
N-[2-(Acetylsulfanyl)ethyl]-N3-[2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamid [German] [ACD/IUPAC Name]
N-[2-(Acetylsulfanyl)ethyl]-N3-[2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide [ACD/IUPAC Name]
N-[2-(Acétylsulfanyl)éthyl]-N3-[2-hydroxy-3,3-diméthyl-4-(phosphonatooxy)butanoyl]-β-alaninamide [French] [ACD/IUPAC Name]
N-[2-(acetylsulfanyl)ethyl]-N(3)-[2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide
S-acetylphosphopantotheine
S-acetylphosphopantotheine(2-)

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability:
Surface Tension:
Molar Volume:

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