ChemSpider 2D Image | (-)-Communensin A | C28H32N4O2

(-)-Communensin A

  • Molecular FormulaC28H32N4O2
  • Average mass456.579 Da
  • Monoisotopic mass456.252533 Da
  • ChemSpider ID26286287
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(-)-Communensin A
1-{(2S,6R,14R,22R,25S)-25-[(2R)-3,3-Dimethyl-2-oxiranyl]-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl}ethanon [German] [ACD/IUPAC Name]
1-{(2S,6R,14R,22R,25S)-25-[(2R)-3,3-Dimethyl-2-oxiranyl]-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl}ethanone [ACD/IUPAC Name]
1-{(2S,6R,14R,22R,25S)-25-[(2R)-3,3-Diméthyl-2-oxiranyl]-15-méthyl-1,3,13,15-tétraazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaén-3-yl}éthanone [French] [ACD/IUPAC Name]
Communensin A
Ethanone, 1-[(3aR,8aR,13bR,16aS,17S)-17-[(2R)-3,3-dimethyloxiranyl]-2,3,8a,9,14,15-hexahydro-9-methyl-13,16-methano-1H,8H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindolin-1(16aH)-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.722
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 252.73
ACD/KOC (pH 5.5): 1808.20
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.33
ACD/KOC (pH 7.4): 1869.73
Polar Surface Area: 51 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 329.5±5.0 cm3

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