ChemSpider 2D Image | (-)-Communesin B | C32H36N4O2

(-)-Communesin B

  • Molecular FormulaC32H36N4O2
  • Average mass508.654 Da
  • Monoisotopic mass508.283813 Da
  • ChemSpider ID24713764
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(-)-Communesin B
(2E,4E)-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}-2,4-hexad 
ien-1-on [German] [ACD/IUPAC Name]
(2E,4E)-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}-2,4-hexad 
ien-1-one [ACD/IUPAC Name]
(2E,4E)-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}-2,4-hexad 
ién-1-one [French] [ACD/IUPAC Name]
2,4-Hexadien-1-one, 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]-, (2E,4E)- [ACD/Index Name]
Communesin B [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 975.56
ACD/KOC (pH 5.5): 4718.81
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1035.65
ACD/KOC (pH 7.4): 5009.47
Polar Surface Area: 51 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 380.5±5.0 cm3

Click to predict properties on the Chemicalize site





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