ChemSpider 2D Image | (2R)-3-(3,5-Diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate | C13H17I2NO3

(2R)-3-(3,5-Diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate

  • Molecular FormulaC13H17I2NO3
  • Average mass489.088 Da
  • Monoisotopic mass488.929749 Da
  • ChemSpider ID28646933

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-(3,5-Diiod-4-methoxyphenyl)-2-(trimethylammonio)propanoat [German] [ACD/IUPAC Name]
(2R)-3-(3,5-Diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate [ACD/IUPAC Name]
(2R)-3-(3,5-Diiodo-4-méthoxyphényl)-2-(triméthylammonio)propanoate [French] [ACD/IUPAC Name]
Benzeneethanaminium, α-carboxy-3,5-diiodo-4-methoxy-N,N,N-trimethyl-, inner salt, (αR)- [ACD/Index Name]
purpuroine F

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: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.30
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.51
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.52
Polar Surface Area: 49 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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