ChemSpider 2D Image | (3R)-4-{Dimethyl[(~2~H_3_)methyl]ammonio}-3-[(3-hydroxybutanoyl)oxy]butanoate | C11H18D3NO5

(3R)-4-{Dimethyl[(2H3)methyl]ammonio}-3-[(3-hydroxybutanoyl)oxy]butanoate

  • Molecular FormulaC11H18D3NO5
  • Average mass250.307 Da
  • Monoisotopic mass250.160797 Da
  • ChemSpider ID58784241

  • defined stereocentres - 1 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-4-{Dimethyl[(2H3)methyl]ammonio}-3-[(3-hydroxybutanoyl)oxy]butanoat [German] [ACD/IUPAC Name]
(3R)-4-{Dimethyl[(2H3)methyl]ammonio}-3-[(3-hydroxybutanoyl)oxy]butanoate [ACD/IUPAC Name]
(3R)-4-{Diméthyl[(2H3)méthyl]ammonio}-3-[(3-hydroxybutanoyl)oxy]butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-2-(3-hydroxy-1-oxobutoxy)-N,N-dimethyl-N-(methyl-d3)-, inner salt, (2R)- [ACD/Index Name]

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: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -4.88
ACD/LogD (pH 5.5): -3.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

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