ChemSpider 2D Image | MET-β-ALA | C8H16N2O3S

MET-β-ALA

  • Molecular FormulaC8H16N2O3S
  • Average mass220.289 Da
  • Monoisotopic mass220.088165 Da
  • ChemSpider ID28293564

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

17136-27-5 [RN]
3-[(2S)-2-AMINO-4-(METHYLSULFANYL)BUTANAMIDO]PROPANOIC ACID
L-Methionyl-β-alanin [German] [ACD/IUPAC Name]
L-Methionyl-β-alanine [ACD/IUPAC Name]
L-Méthionyl-β-alanine [French] [ACD/IUPAC Name]
Met-β-Ala
MET-β-ALA
β-Alanine, L-methionyl- [ACD/Index Name]
(S)-2-(3-Aminopropanamido)-4-(methylthio)butanoic acid
(S)-3-(2-amino-4-(methylthio)butanamido)propanoicacid
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 494.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 253.0±28.7 °C
Index of Refraction: 1.535
Molar Refractivity: 55.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 179.2±3.0 cm3

Click to predict properties on the Chemicalize site


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