ChemSpider 2D Image | (2R,3R,4R,5R)-N,N'-Bis[(2S)-2,3-dimethylbutanoyl]-2,3,4-trihydroxy-5-[4-(2-pyridinyl)phenoxy]hexanediamide | C29H39N3O8

(2R,3R,4R,5R)-N,N'-Bis[(2S)-2,3-dimethylbutanoyl]-2,3,4-trihydroxy-5-[4-(2-pyridinyl)phenoxy]hexanediamide

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID24749517

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3R,4R,5R)-N,N'-Bis[(2S)-2,3-dimethylbutanoyl]-2,3,4-trihydroxy-5-[4-(2-pyridinyl)phenoxy]hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-N,N'-Bis[(2S)-2,3-dimethylbutanoyl]-2,3,4-trihydroxy-5-[4-(2-pyridinyl)phenoxy]hexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-N,N'-Bis[(2S)-2,3-diméthylbutanoyl]-2,3,4-trihydroxy-5-[4-(2-pyridinyl)phénoxy]hexanediamide [French] [ACD/IUPAC Name]
1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-1,6-dioxo-5-(4-pyridin-2-yl-phenoxy)-hexan-2-ol anion

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

Density: 1.2±0.1 g/cm3
Boiling Point: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 447.2±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 29.89
ACD/KOC (pH 5.5): 378.92
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.83
ACD/KOC (pH 7.4): 441.53
Polar Surface Area: 175 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 454.2±3.0 cm3

Click to predict properties on the Chemicalize site


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