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ChemSpider 2D Image | (2S)-N-[(10S,13R,20R,21R)-3,35-Dichloro-10-isopropyl-12-oxo-8,37,40-trioxa-4,11,22,34,39-pentaazadecacyclo[,5~.1~6,9~.1~15,19~.1~18,21~.0~7,20~.0~20,24~.0~23,28~.0~33,36~]tetraconta-1(35),2,
4,6,9(39),15(38),16,18,23,25,27,29(36),30,32-tetradecaen-13-yl]-2-hydroxy-3-methylbutanamide | C40H34Cl2N6O6

(2S)-N-[(10S,13R,20R,21R)-3,35-Dichloro-10-isopropyl-12-oxo-8,37,40-trioxa-4,11,22,34,39-pentaazadecacyclo[,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2, 4,6,9(39),15(38),16,18,23,25,27,29(36),30,32-tetradecaen-13-yl]-2-hydroxy-3-methylbutanamide

  • Molecular FormulaC40H34Cl2N6O6
  • Average mass765.641 Da
  • Monoisotopic mass764.191711 Da
  • ChemSpider ID17212293
  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

Density: 1.6±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.759
Molar Refractivity: 198.2±0.0 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1318.65
ACD/KOC (pH 5.5): 5952.62
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1318.65
ACD/KOC (pH 7.4): 5952.64
Polar Surface Area: 168 Å2
Polarizability: 78.6±0.0 10-24cm3
Surface Tension: 90.3±0.0 dyne/cm
Molar Volume: 482.1±0.0 cm3

Click to predict properties on the Chemicalize site

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