ChemSpider 2D Image | (1R,17R)-11,27-Dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.3~6,13~.1~3,7~.1~19,23~.0~10,38~.0~17,37~.0~26,34~.0~29,33~]tetraconta-3(40),4,6,10,12,19(36),20,22,26,28,33,37
-dodecaene | C38H38N2O6

(1R,17R)-11,27-Dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.36,13.13,7.119,23.010,38.017,37.026,34.029,33]tetraconta-3(40),4,6,10,12,19(36),20,22,26,28,33,37 -dodecaene

  • Molecular FormulaC38H38N2O6
  • Average mass618.718 Da
  • Monoisotopic mass618.273010 Da
  • ChemSpider ID57641878
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,17R)-11,27-Dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.36,13.13,7.119,23.010,38.017,37.026,34.029,33]tetraconta-3(40),4,6,10,12,19(36),20,22,26,28,33,37 -dodecaen [German] [ACD/IUPAC Name]
(1R,17R)-11,27-Dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.36,13.13,7.119,23.010,38.017,37.026,34.029,33]tetraconta-3(40),4,6,10,12,19(36),20,22,26,28,33,37 -dodecaene [ACD/IUPAC Name]
(1R,17R)-11,27-Diméthoxy-16,32-diméthyl-9,25,35,39-tétraoxa-16,32-diazanonacyclo[20.10.3.36,13.13,7.119,23.010,38.017,37.026,34.029,33]tétraconta-3(40),4,6,10,12,19(36),20,22,26,28,33,37 -dodécaène [French] [ACD/IUPAC Name]
847020-31-9 [RN]
Cissacapine

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: 1.631
Molar Refractivity: 173.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.43
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 195.87
ACD/KOC (pH 7.4): 1136.71
Polar Surface Area: 62 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 487.9±3.0 cm3

Click to predict properties on the Chemicalize site






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