ChemSpider 2D Image | (2E,4E,6R)-N-[(1S,2S,4R,6S,7S,8S,10S)-6-Chloro-1,7-dihydroxy-10-methoxy-5-oxo-3-oxatricyclo[4.3.1.0~2,4~]dec-8-yl]-4,6-dimethyl-2,4-dodecadienamide | C24H36ClNO6

(2E,4E,6R)-N-[(1S,2S,4R,6S,7S,8S,10S)-6-Chloro-1,7-dihydroxy-10-methoxy-5-oxo-3-oxatricyclo[4.3.1.02,4]dec-8-yl]-4,6-dimethyl-2,4-dodecadienamide

  • Molecular FormulaC24H36ClNO6
  • Average mass469.999 Da
  • Monoisotopic mass469.223114 Da
  • ChemSpider ID23326629

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E,4E,6R)-N-[(1S,2S,4R,6S,7S,8S,10S)-6-Chlor-1,7-dihydroxy-10-methoxy-5-oxo-3-oxatricyclo[4.3.1.02,4]dec-8-yl]-4,6-dimethyl-2,4-dodecadienamid [German] [ACD/IUPAC Name]
(2E,4E,6R)-N-[(1S,2S,4R,6S,7S,8S,10S)-6-Chloro-1,7-dihydroxy-10-methoxy-5-oxo-3-oxatricyclo[4.3.1.02,4]dec-8-yl]-4,6-dimethyl-2,4-dodecadienamide [ACD/IUPAC Name]
(2E,4E,6R)-N-[(1S,2S,4R,6S,7S,8S,10S)-6-Chloro-1,7-dihydroxy-10-méthoxy-5-oxo-3-oxatricyclo[4.3.1.02,4]déc-8-yl]-4,6-diméthyl-2,4-dodécadiénamide [French] [ACD/IUPAC Name]
2,4-Dodecadienamide, N-[(1S,2S,4R,6S,7S,8S,10S)-6-chloro-1,7-dihydroxy-10-methoxy-5-oxo-3-oxatricyclo[4.3.1.02,4]dec-8-yl]-4,6-dimethyl-, (2E,4E,6R)- [ACD/Index Name]
(2E,4E,6R)-N-[(1S,2S,4R,6S,7S,8S,10S)-6-chloro-1,7-dihydroxy-10-methoxy-5-oxo-3-oxatricyclo[4.3.1.02,4]dec-8-yl]-4,6-dimethyldodeca-2,4-dienamide
Gymnastatin G
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517147/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 363.0±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 121.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 422.56
ACD/KOC (pH 5.5): 2637.63
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 422.52
ACD/KOC (pH 7.4): 2637.42
Polar Surface Area: 108 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 376.2±5.0 cm3

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