ChemSpider 2D Image | (1R,9Z,11S,13S,25Z,27S,28E,33S,35S,37E,38S)-28,37-Bis(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.2~11,14~.1~1,8~.1~10,17~.0~2,7~.0~13,17~.0~18,23~.0~24,35~.0~26,38 ~.0~30,33~]octatriaconta-2,4,6,9,18,20,22,25-octaene | C40H46N4O2

(1R,9Z,11S,13S,25Z,27S,28E,33S,35S,37E,38S)-28,37-Bis(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024,35.026,38 .030,33]octatriaconta-2,4,6,9,18,20,22,25-octaene

  • Molecular FormulaC40H46N4O2
  • Average mass614.818 Da
  • Monoisotopic mass614.360962 Da
  • ChemSpider ID34890167

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 10 defined stereocentres

More details:

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

(1R,9Z,11S,13S,25Z,27S,28E,33S,35S,37E,38S)-28,37-Bis(2-hydroxyethyliden)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024,35.026,38 .030,33]octatriaconta-2,4,6,9,18,20,22,25-octaen [German] [ACD/IUPAC Name]
(1R,9Z,11S,13S,25Z,27S,28E,33S,35S,37E,38S)-28,37-Bis(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024,35.026,38 .030,33]octatriaconta-2,4,6,9,18,20,22,25-octaene [ACD/IUPAC Name]
(1R,9Z,11S,13S,25Z,27S,28E,33S,35S,37E,38S)-28,37-Bis(2-hydroxyéthylidène)-14,30-diméthyl-8,24-diaza-14,30-diazoniaundécacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024,35.026,38 .030,33]octatriaconta-2,4,6,9,18,20,22,25-octaène [French] [ACD/IUPAC Name]
1,21:10,12-Diethano-19aH,20bH-dipyrrolo[3,2-f:3,2-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazolium, 1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-23,26-bis(2-hydroxyethylidene)-1,12-dimethyl-, (3a R,9Z,10S,11aS,19aS,20Z,20bS,21S,22aS,23E,26E)- [ACD/Index Name]
CHEMBL231047

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: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -4.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

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