ChemSpider 2D Image | (1E,2S,3R)-N-[3-[(4S,6S)-4-[(E,3S)-3,5-dimethyl-6-oxo-hept-4-enyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]propyl]-3-hydroxy-4-[(Z)-[1-hydroxy-2-[(2S,6R)-3-methyl-6-[(E)-2-oxopent-3-enyl]tetrahydropyran-2-yl]ethylidene]amino]-2-methyl-butanimidic acid | C40H66N2O8

(1E,2S,3R)-N-[3-[(4S,6S)-4-[(E,3S)-3,5-dimethyl-6-oxo-hept-4-enyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]propyl]-3-hydroxy-4-[(Z)-[1-hydroxy-2-[(2S,6R)-3-methyl-6-[(E)-2-oxopent-3-enyl]tetrahydropyran-2-yl]ethylidene]amino]-2-methyl-butanimidic acid

  • Molecular FormulaC40H66N2O8
  • Average mass702.961 Da
  • Monoisotopic mass702.481934 Da
  • ChemSpider ID21431303
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 10 defined stereocentres


More details:






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

Density: 1.2±0.1 g/cm3
Boiling Point: 832.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.7±6.0 kJ/mol
Flash Point: 457.3±37.1 °C
Index of Refraction: 1.552
Molar Refractivity: 193.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 81.74
ACD/KOC (pH 5.5): 236.86
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 86.95
ACD/KOC (pH 7.4): 251.95
Polar Surface Area: 147 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 604.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement