ChemSpider 2D Image | N-[(6S,11R,12R,13R,15S)-15-{(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydro-2-furanyl}-6,12-dihydroxy-11,13-dimethyl-4,8,14-trioxoheptadecyl]ace tamide | C36H63NO9

N-[(6S,11R,12R,13R,15S)-15-{(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydro-2-furanyl}-6,12-dihydroxy-11,13-dimethyl-4,8,14-trioxoheptadecyl]ace tamide

  • Molecular FormulaC36H63NO9
  • Average mass653.887 Da
  • Monoisotopic mass653.450256 Da
  • ChemSpider ID59702223

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

D-galacto-Nonitol, 9-C-[(1S,3R,4R,5R,10S)-15-(acetylamino)-1-ethyl-4,10-dihydroxy-3,5-dimethyl-2,8,12-trioxopentadecyl]-1,5:6,9-dianhydro-3,4,7,8-tetradeoxy-2,6-di-C-ethyl-8-methyl-1-C-methyl-, (1S,9S )- [ACD/Index Name]
N-[(6S,11R,12R,13R,15S)-15-{(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydro-2-furanyl}-6,12-dihydroxy-11,13-dimethyl-4,8,14-trioxoheptadecyl]ace tamid [German] [ACD/IUPAC Name]
N-[(6S,11R,12R,13R,15S)-15-{(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydro-2-furanyl}-6,12-dihydroxy-11,13-dimethyl-4,8,14-trioxoheptadecyl]ace tamide [ACD/IUPAC Name]
N-[(6S,11R,12R,13R,15S)-15-{(2S,3S,5S)-5-Éthyl-5-[(2R,5R,6S)-5-éthyl-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-3-méthyltétrahydro-2-furanyl}-6,12-dihydroxy-11,13-diméthyl-4,8,14-trioxoheptadécyl]acé tamide [French] [ACD/IUPAC Name]
E'compound9a22025396'

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

Density: 1.1±0.1 g/cm3
Boiling Point: 816.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.1±6.0 kJ/mol
Flash Point: 447.8±34.3 °C
Index of Refraction: 1.496
Molar Refractivity: 176.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.28
ACD/KOC (pH 5.5): 541.66
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.28
ACD/KOC (pH 7.4): 541.66
Polar Surface Area: 159 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 602.9±3.0 cm3

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