ChemSpider 2D Image | (2S,6R,14R,22R,25S)-25-[(2R)-3,3-Dimethyl-2-oxiranyl]-3-[(2E,4E)-2,4-hexadienoyl]-1,3,13,15-tetraazaheptacyclo[18.4.1.0~2,6~.0~6,22~.0~7,12~.0~14,22~.0~16,21~]pentacosa-7,9,11,16,18,20-hexaene-15-carb
aldehyde | C32H34N4O3

(2S,6R,14R,22R,25S)-25-[(2R)-3,3-Dimethyl-2-oxiranyl]-3-[(2E,4E)-2,4-hexadienoyl]-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-hexaene-15-carb aldehyde

  • Molecular FormulaC32H34N4O3
  • Average mass522.637 Da
  • Monoisotopic mass522.263062 Da
  • ChemSpider ID24714037
  • 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

(2S,6R,14R,22R,25S)-25-[(2R)-3,3-Dimethyl-2-oxiranyl]-3-[(2E,4E)-2,4-hexadienoyl]-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-15-carba ldehyd [German] [ACD/IUPAC Name]
(2S,6R,14R,22R,25S)-25-[(2R)-3,3-Dimethyl-2-oxiranyl]-3-[(2E,4E)-2,4-hexadienoyl]-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-hexaene-15-carb aldehyde [ACD/IUPAC Name]
(2S,6R,14R,22R,25S)-25-[(2R)-3,3-Diméthyl-2-oxiranyl]-3-[(2E,4E)-2,4-hexadienoyl]-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-hexaène-15-carb aldéhyde [French] [ACD/IUPAC Name]
9H-13,16-Methano-1H,8H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindoline-9-carboxaldehyde, 17-[(2R)-3,3-dimethyloxiranyl]-2,3,8a,14,15,16a-hexahydro-1-[(2E,4E)-1-oxo-2,4-hexadien-1-yl]-, (3aR,8aR,13bR,16aS, 17S)- [ACD/Index Name]
communesin C

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: 1.720
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 244.96
ACD/KOC (pH 5.5): 1775.35
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 249.78
ACD/KOC (pH 7.4): 1810.28
Polar Surface Area: 68 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 377.4±5.0 cm3

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