ChemSpider 2D Image | (3R)-3-{[3-(~2~H_3_)Methyl(~2~H_6_)butanoyl]oxy}-4-(trimethylammonio)butanoate | C12H14D9NO4

(3R)-3-{[3-(2H3)Methyl(2H6)butanoyl]oxy}-4-(trimethylammonio)butanoate

  • Molecular FormulaC12H14D9NO4
  • Average mass254.371 Da
  • Monoisotopic mass254.219193 Da
  • ChemSpider ID26324026

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-3-{[3-(2H3)Methyl(2H6)butanoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3R)-3-{[3-(2H3)Methyl(2H6)butanoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3R)-3-{[3-(2H3)Méthyl(2H6)butanoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[3-(methyl-d3)-1-oxobutyl-2,2,3,4,4,4-d6]oxy]-, inner salt, (2R)- [ACD/Index Name]
[18944-28-0] [RN]
18944-28-0 [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: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -2.74
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.60
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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