ChemSpider 2D Image | 3-[(2,4-Dihydroxy-4-methylpentanoyl)amino]propanoate | C9H16NO5

3-[(2,4-Dihydroxy-4-methylpentanoyl)amino]propanoate

  • Molecular FormulaC9H16NO5
  • Average mass218.228 Da
  • Monoisotopic mass218.103394 Da
  • ChemSpider ID21258775

  • Charge - Charge

More details:

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

3-[(2,4-Dihydroxy-4-methylpentanoyl)amino]propanoat [German] [ACD/IUPAC Name]
3-[(2,4-Dihydroxy-4-methylpentanoyl)amino]propanoate [ACD/IUPAC Name]
3-[(2,4-Dihydroxy-4-méthylpentanoyl)amino]propanoate [French] [ACD/IUPAC Name]
β-Alanine, N-(2,4-dihydroxy-4-methyl-1-oxopentyl)-, ion(1-) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 551.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 287.3±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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