ChemSpider 2D Image | 2,4-Dihydroxy-N-(3-hydroxybutanoyl)-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide | C15H28N2O6S

2,4-Dihydroxy-N-(3-hydroxybutanoyl)-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide

  • Molecular FormulaC15H28N2O6S
  • Average mass364.458 Da
  • Monoisotopic mass364.166809 Da
  • ChemSpider ID28678651

More details:






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

2,4-Dihydroxy-N-(3-hydroxybutanoyl)-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamid [German] [ACD/IUPAC Name]
2,4-Dihydroxy-N-(3-hydroxybutanoyl)-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide [ACD/IUPAC Name]
2,4-Dihydroxy-N-(3-hydroxybutanoyl)-3,3-diméthyl-N-{3-oxo-3-[(2-sulfanyléthyl)amino]propyl}butanamide [French] [ACD/IUPAC Name]
Butanamide, 2,4-dihydroxy-N-(3-hydroxy-1-oxobutyl)-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 663.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 355.0±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -1.47
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.11
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.07
Polar Surface Area: 166 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 290.9±3.0 cm3

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