ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,3R)-3-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-5-methyl-2-[(2-naphthylsulfonyl)amino]hexanoate | C29H43N3O6S

2-Methyl-2-propanyl (2S,3R)-3-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-5-methyl-2-[(2-naphthylsulfonyl)amino]hexanoate

  • Molecular FormulaC29H43N3O6S
  • Average mass561.733 Da
  • Monoisotopic mass561.287231 Da
  • ChemSpider ID8730300

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R)-3-{[(2S)-3,3-Diméthyl-1-(méthylamino)-1-oxo-2-butanyl]carbamoyl}-5-méthyl-2-[(2-naphtylsulfonyl)amino]hexanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S,3R)-3-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-5-methyl-2-[(2-naphthylsulfonyl)amino]hexanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,3R)-3-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-5-methyl-2-[(2-naphthylsulfonyl)amino]hexanoat [German] [ACD/IUPAC Name]

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: 1.544
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6873.40
ACD/KOC (pH 5.5): 19401.79
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5494.01
ACD/KOC (pH 7.4): 15508.13
Polar Surface Area: 139 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 488.2±3.0 cm3

Click to predict properties on the Chemicalize site


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