ChemSpider 2D Image | (2R)-N-[(2S,3S)-1-(Dimethylamino)-4-hydroxy-3-methyl-1-oxo-2-butanyl]-2-{[formyl(hydroxy)amino]methyl}hexanamide | C15H29N3O5

(2R)-N-[(2S,3S)-1-(Dimethylamino)-4-hydroxy-3-methyl-1-oxo-2-butanyl]-2-{[formyl(hydroxy)amino]methyl}hexanamide

  • Molecular FormulaC15H29N3O5
  • Average mass331.408 Da
  • Monoisotopic mass331.210724 Da
  • ChemSpider ID23180271

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R)-N-[(2S,3S)-1-(Dimethylamino)-4-hydroxy-3-methyl-1-oxo-2-butanyl]-2-{[formyl(hydroxy)amino]methyl}hexanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2S,3S)-1-(Dimethylamino)-4-hydroxy-3-methyl-1-oxo-2-butanyl]-2-{[formyl(hydroxy)amino]methyl}hexanamide [ACD/IUPAC Name]
(2R)-N-[(2S,3S)-1-(Diméthylamino)-4-hydroxy-3-méthyl-1-oxo-2-butanyl]-2-{[formyl(hydroxy)amino]méthyl}hexanamide [French] [ACD/IUPAC Name]
Hexanamide, N-[(1S,2S)-1-[(dimethylamino)carbonyl]-3-hydroxy-2-methylpropyl]-2-[(formylhydroxyamino)methyl]-, (2R)- [ACD/Index Name]
(R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid [1-((S)-dimethyl-carbamoyl)-3-hydroxy-2-methyl-propyl]-amide
CHEMBL90401

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.509
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.19
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.66
Polar Surface Area: 110 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 287.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement