ChemSpider 2D Image | Cepharanoline | C36H36N2O6

Cepharanoline

  • Molecular FormulaC36H36N2O6
  • Average mass592.681 Da
  • Monoisotopic mass592.257324 Da
  • ChemSpider ID4475003
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(14S,27R)-33-Methoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaen 
-22-ol [German] [ACD/IUPAC Name]
(14S,27R)-33-Methoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaen 
-22-ol [ACD/IUPAC Name]
(14S,27R)-33-Méthoxy-13,28-diméthyl-2,5,7,20-tétraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodécaén 
-22-ol [French] [ACD/IUPAC Name]
Cepharanoline

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: 1.627
Molar Refractivity: 166.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 4.55
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1491.39
ACD/KOC (pH 7.4): 4269.72
Polar Surface Area: 73 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 468.7±3.0 cm3

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