ChemSpider 2D Image | (1S,9R,15S,16S,18R,19R,20S,21S,29R,35S,36S,38R,39R,40S)-15,35-Dimethyl-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.2~15,21~.0~1,36~.0~2,7~.0~8,40~.0~9,19~.0~13,18~.0~16,21~.0~20,28~.0~22, 27~.0~29,39~.0~33,38~]tetratetraconta-2,4,6,12,22,24,26,32-octaene | C40H46N4O2

(1S,9R,15S,16S,18R,19R,20S,21S,29R,35S,36S,38R,39R,40S)-15,35-Dimethyl-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022, 27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene

  • Molecular FormulaC40H46N4O2
  • Average mass614.818 Da
  • Monoisotopic mass614.360962 Da
  • ChemSpider ID25046018

  • Charge - Charge

    defined stereocentres - 12 of 14 defined stereocentres

More details:

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

(1S,9R,15S,16S,18R,19R,20S,21S,29R,35S,36S,38R,39R,40S)-15,35-Dimethyl-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022, 27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaen [German] [ACD/IUPAC Name]
(1S,9R,15S,16S,18R,19R,20S,21S,29R,35S,36S,38R,39R,40S)-15,35-Dimethyl-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022, 27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene [ACD/IUPAC Name]
(1S,9R,15S,16S,18R,19R,20S,21S,29R,35S,36S,38R,39R,40S)-15,35-Diméthyl-10,30-dioxa-8,28-diaza-15,35-diazoniatridécacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022, 27.029,39.033,38]tétratétraconta-2,4,6,12,22,24,26,32-octaène [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -3.48
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 25 Å2
Polarizability:
Surface Tension:
Molar Volume:

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