ChemSpider 2D Image | 2-{[3-(Propionyloxy)-4-(trimethylammonio)butanoyl]amino}ethanesulfonate | C12H24N2O6S

2-{[3-(Propionyloxy)-4-(trimethylammonio)butanoyl]amino}ethanesulfonate

  • Molecular FormulaC12H24N2O6S
  • Average mass324.394 Da
  • Monoisotopic mass324.135498 Da
  • ChemSpider ID28586733

More details:

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

1-Butanaminium, N,N,N-trimethyl-4-oxo-2-(1-oxopropoxy)-4-[(2-sulfoethyl)amino]-, inner salt [ACD/Index Name]
2-{[3-(Propionyloxy)-4-(trimethylammonio)butanoyl]amino}ethanesulfonate [ACD/IUPAC Name]
2-{[3-(Propionyloxy)-4-(triméthylammonio)butanoyl]amino}éthanesulfonate [French] [ACD/IUPAC Name]
2-{[3-(Propionyloxy)-4-(trimethylammonio)butanoyl]amino}ethansulfonat [German] [ACD/IUPAC Name]
2-{[(3r)-3-(propanoyloxy)-4-(trimethylammonio)butanoyl]amino}ethanesulfonate
81262-06-8 [RN]

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: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -6.18
ACD/LogD (pH 5.5): -5.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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