ChemSpider 2D Image | (14S,27R)-22,33-Dimethoxy-13-methyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaen e | C36H36N2O6

(14S,27R)-22,33-Dimethoxy-13-methyl-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 e

  • Molecular FormulaC36H36N2O6
  • Average mass592.681 Da
  • Monoisotopic mass592.257324 Da
  • ChemSpider ID157790

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(14S,27R)-22,33-Dimethoxy-13-methyl-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 [German] [ACD/IUPAC Name]
(14S,27R)-22,33-Dimethoxy-13-methyl-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 
e [ACD/IUPAC Name]
(14S,27R)-22,33-Diméthoxy-13-méthyl-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-dodécaèn 
e [French] [ACD/IUPAC Name]
(+)-2'-Norcepharanthine
104386-91-6 [RN]
Cepharanthin

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 166.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 125.93
ACD/KOC (pH 7.4): 493.20
Polar Surface Area: 71 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 479.3±3.0 cm3

Click to predict properties on the Chemicalize site


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