ChemSpider 2D Image | (2S,3R)-N~4~-[(2S)-1-(Dimethylamino)-3,3-dimethyl-1-oxo-2-butanyl]-N~1~,2-dihydroxy-3-isobutylsuccinamide | C16H31N3O5

(2S,3R)-N4-[(2S)-1-(Dimethylamino)-3,3-dimethyl-1-oxo-2-butanyl]-N1,2-dihydroxy-3-isobutylsuccinamide

  • Molecular FormulaC16H31N3O5
  • Average mass345.434 Da
  • Monoisotopic mass345.226379 Da
  • ChemSpider ID25060303

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R)-N4-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-N1,2-dihydroxy-3-(2-methylpropyl)butanediamide
(2S,3R)-N4-[(2S)-1-(Dimethylamino)-3,3-dimethyl-1-oxo-2-butanyl]-N1,2-dihydroxy-3-isobutylsuccinamid [German] [ACD/IUPAC Name]
(2S,3R)-N4-[(2S)-1-(Dimethylamino)-3,3-dimethyl-1-oxo-2-butanyl]-N1,2-dihydroxy-3-isobutylsuccinamide [ACD/IUPAC Name]
(2S,3R)-N4-[(2S)-1-(Diméthylamino)-3,3-diméthyl-1-oxo-2-butanyl]-N1,2-dihydroxy-3-isobutylsuccinamide [French] [ACD/IUPAC Name]
Butanediamide, N4-[(1S)-1-[(dimethylamino)carbonyl]-2,2-dimethylpropyl]-N1,2-dihydroxy-3-(2-methylpropyl)-, (2S,3R)- [ACD/Index Name]
2BB

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.501
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.63
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.49
Polar Surface Area: 119 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 305.5±3.0 cm3

Click to predict properties on the Chemicalize site


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