ChemSpider 2D Image | (3S)-3-{[(3R)-3-Hydroxybutanoyl]oxy}-4-(trimethylammonio)butanoate | C11H21NO5

(3S)-3-{[(3R)-3-Hydroxybutanoyl]oxy}-4-(trimethylammonio)butanoate

  • Molecular FormulaC11H21NO5
  • Average mass247.288 Da
  • Monoisotopic mass247.141968 Da
  • ChemSpider ID128430671

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-{[(3R)-3-Hydroxybutanoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3S)-3-{[(3R)-3-Hydroxybutanoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3S)-3-{[(3R)-3-Hydroxybutanoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-2-[(3R)-3-hydroxy-1-oxobutoxy]-N,N,N-trimethyl-, inner salt, (2S)- [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:

Click to predict properties on the Chemicalize site


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