ChemSpider 2D Image | (1R,9R,18R,19R,21S,29Z,31S,32E,37S,41S)-15,34-Diallyl-32-(2-hydroxyethylidene)-10-oxa-8,28-diaza-15,34-diazoniadodecacyclo[29.5.2.2~15,21~.1~1,8~.0~2,7~.0~9,19~.0~13,18~.0~16,21~.0~20,28~.0~22,27~.0~3 0,41~.0~34,37~]hentetraconta-2,4,6,12,22,24,26,29-octaene | C44H50N4O2

(1R,9R,18R,19R,21S,29Z,31S,32E,37S,41S)-15,34-Diallyl-32-(2-hydroxyethylidene)-10-oxa-8,28-diaza-15,34-diazoniadodecacyclo[29.5.2.215,21.11,8.02,7.09,19.013,18.016,21.020,28.022,27.03 0,41.034,37]hentetraconta-2,4,6,12,22,24,26,29-octaene

  • Molecular FormulaC44H50N4O2
  • Average mass666.892 Da
  • Monoisotopic mass666.392273 Da
  • ChemSpider ID8524945

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 12 defined stereocentres

More details:

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

(1R,9R,18R,19R,21S,29Z,31S,32E,37S,41S)-15,34-Diallyl-32-(2-hydroxyethyliden)-10-oxa-8,28-diaza-15,34-diazoniadodecacyclo[29.5.2.215,21.11,8.02,7.09,19.013,18.016,21.020,28.022,27.030 ,41.034,37]hentetraconta-2,4,6,12,22,24,26,29-octaen [German] [ACD/IUPAC Name]
(1R,9R,18R,19R,21S,29Z,31S,32E,37S,41S)-15,34-Diallyl-32-(2-hydroxyethylidene)-10-oxa-8,28-diaza-15,34-diazoniadodecacyclo[29.5.2.215,21.11,8.02,7.09,19.013,18.016,21.020,28.022,27.03 0,41.034,37]hentetraconta-2,4,6,12,22,24,26,29-octaene [ACD/IUPAC Name]
(1R,9R,18R,19R,21S,29Z,31S,32E,37S,41S)-15,34-Diallyl-32-(2-hydroxyéthylidène)-10-oxa-8,28-diaza-15,34-diazoniadodécacyclo[29.5.2.215,21.11,8.02,7.09,19.013,18.016,21.020,28.022,27.03 0,41.034,37]héntétraconta-2,4,6,12,22,24,26,29-octaène [French] [ACD/IUPAC Name]
10,12-Ethano-1,23-methano-1H,9bH,19aH-indolo[1',2',3':1,10]oxepino[2',3',4':6,7]pyrrolo[2',3':9,10][1,5]benzodiazocino[5,4,3-lm]pyrrolo[2,3-d]carbazolium, 2,3,10,11,11a,12,13,14,21,23a,23b,23c,24,24a- tetradecahydro-27-(2-hydroxyethylidene)-1,12-di-2-propen-1-yl-, (3aS,9Z,9bS,10S,11aS,14aR,19aR,23aR,23bR,27E)- [ACD/Index 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: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.12
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 36 Å2
Polarizability:
Surface Tension:
Molar Volume:

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