ChemSpider 2D Image | (1R,2R,5S,7S,10R,11S,14R,16S)-2-Ethyl-11-methyl-14-[(1R)-1-{(2R,5S)-5-[(2R)-2-(methylamino)pentyl]tetrahydro-2-furanyl}ethyl]-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1~7,10~]icosane-3,12-dione | C34H59NO7

(1R,2R,5S,7S,10R,11S,14R,16S)-2-Ethyl-11-methyl-14-[(1R)-1-{(2R,5S)-5-[(2R)-2-(methylamino)pentyl]tetrahydro-2-furanyl}ethyl]-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione

  • Molecular FormulaC34H59NO7
  • Average mass593.835 Da
  • Monoisotopic mass593.429138 Da
  • ChemSpider ID8897529

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,2R,5S,7S,10R,11S,14R,16S)-2-Ethyl-11-methyl-14-[(1R)-1-{(2R,5S)-5-[(2R)-2-(methylamino)pentyl]tetrahydro-2-furanyl}ethyl]-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosan-3,12-dion [German] [ACD/IUPAC Name]
(1R,2R,5S,7S,10R,11S,14R,16S)-2-Ethyl-11-methyl-14-[(1R)-1-{(2R,5S)-5-[(2R)-2-(methylamino)pentyl]tetrahydro-2-furanyl}ethyl]-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione [ACD/IUPAC Name]
(1R,2R,5S,7S,10R,11S,14R,16S)-2-Éthyl-11-méthyl-14-[(1R)-1-{(2R,5S)-5-[(2R)-2-(méthylamino)pentyl]tétrahydro-2-furanyl}éthyl]-5-propyl-4,13,19,20-tétraoxatricyclo[14.2.1.17,10]icosane-3,12-dione [French] [ACD/IUPAC Name]
4,13,19,20-Tetraoxatricyclo[14.2.1.17,10]eicosane-3,12-dione, 2-ethyl-11-methyl-5-propyl-14-[(1R)-1-[(2R,5S)-tetrahydro-5-[(2R)-2-(methylamino)pentyl]-2-furanyl]ethyl]-, (1R,2R,5S,7S,10R,11S,14R,16S )- [ACD/Index Name]
De-N-methylpamamycin-593B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 719.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.6±32.9 °C
Index of Refraction: 1.469
Molar Refractivity: 163.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 7.39
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 4.09
ACD/KOC (pH 7.4): 15.58
Polar Surface Area: 92 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 586.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement