ChemSpider 2D Image | (1R,2S,5S,6S,7S,10R,11R,14S,16S)-5-[(1R)-1-{(2R,5S)-5-[2-(Dimethylamino)pentyl]tetrahydro-2-furanyl}ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1~7,10~]icosane-3,12-dione | C35H61NO7

(1R,2S,5S,6S,7S,10R,11R,14S,16S)-5-[(1R)-1-{(2R,5S)-5-[2-(Dimethylamino)pentyl]tetrahydro-2-furanyl}ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione

  • Molecular FormulaC35H61NO7
  • Average mass607.861 Da
  • Monoisotopic mass607.444824 Da
  • ChemSpider ID113291

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(1R,2S,5S,6S,7S,10R,11R,14S,16S)-5-[(1R)-1-{(2R,5S)-5-[2-(Dimethylamino)pentyl]tetrahydro-2-furanyl}ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosan-3,12-dion [German] [ACD/IUPAC Name]
(1R,2S,5S,6S,7S,10R,11R,14S,16S)-5-[(1R)-1-{(2R,5S)-5-[2-(Dimethylamino)pentyl]tetrahydro-2-furanyl}ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione [ACD/IUPAC Name]
(1R,2S,5S,6S,7S,10R,11R,14S,16S)-5-[(1R)-1-{(2R,5S)-5-[2-(Diméthylamino)pentyl]tétrahydro-2-furanyl}éthyl]-2,6,11-triméthyl-14-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, 5-[(1R)-1-[(2R,5S)-5-[2-(dimethylamino)pentyl]tetrahydro-2-furanyl]ethyl]-2,6,11-trimethyl-14-propyl-, (1R,2S,5S,6S,7S,10R,11R,14S,16S)- [ACD/Index Name]
100905-89-3 [RN]
4,13,19,20-Tetraoxotricyclo(14.2.1.1(sup 7,10))eicosane-3,12-dione, 5-(1-(5-(2-(dimethylamino)pentyl)tetrahydro-2-furanyl)ethyl)-2,6,11-trimethyl-14-propyl-, (1R-(1R*,2S*,5S*(R*(2R*,5S*(R*))),6R*,7S*,10R*,11R*,14S*,16S*))-
Panamycin 607
Panamycin-607

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

Density: 1.0±0.1 g/cm3
Boiling Point: 713.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.2±32.9 °C
Index of Refraction: 1.469
Molar Refractivity: 168.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 3.84
ACD/KOC (pH 5.5): 12.38
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 36.65
ACD/KOC (pH 7.4): 118.33
Polar Surface Area: 84 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 603.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement