ChemSpider 2D Image | (1R,2S,4S,5S,6R,9S,10R)-6-Methoxy-5,20-dimethyl-4-phenyl-3,20-diazahexacyclo[8.7.3.1~5,9~.0~1,9~.0~2,6~.0~12,17~]henicosa-12,14,16-trien-15-ol | C28H34N2O2

(1R,2S,4S,5S,6R,9S,10R)-6-Methoxy-5,20-dimethyl-4-phenyl-3,20-diazahexacyclo[8.7.3.15,9.01,9.02,6.012,17]henicosa-12,14,16-trien-15-ol

  • Molecular FormulaC28H34N2O2
  • Average mass430.582 Da
  • Monoisotopic mass430.262024 Da
  • ChemSpider ID61710558

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2S,4S,5S,6R,9S,10R)-6-Methoxy-5,20-dimethyl-4-phenyl-3,20-diazahexacyclo[8.7.3.15,9.01,9.02,6.012,17]henicosa-12,14,16-trien-15-ol [German] [ACD/IUPAC Name]
(1R,2S,4S,5S,6R,9S,10R)-6-Methoxy-5,20-dimethyl-4-phenyl-3,20-diazahexacyclo[8.7.3.15,9.01,9.02,6.012,17]henicosa-12,14,16-trien-15-ol [ACD/IUPAC Name]
(1R,2S,4S,5S,6R,9S,10R)-6-Méthoxy-5,20-diméthyl-4-phényl-3,20-diazahexacyclo[8.7.3.15,9.01,9.02,6.012,17]hénicosa-12,14,16-trién-15-ol [French] [ACD/IUPAC Name]
6,11b-(Iminoethano)-3,5a-methano-1H-naphth[2,1-g]indol-10-ol, 2,3,3a,4,5,6,7,11c-octahydro-3a-methoxy-3,14-dimethyl-2-phenyl-, (2S,3S,3aR,5aS,6R,11bR,11cS)- [ACD/Index Name]
(2s,3s,3ar,5ar,6r,11br,11cs)-3a-Methoxy-3,14-Dimethyl-2-Phenyl-2,3,3a,6,7,11c-Hexahydro-1h-6,11b-(Epiminoethano)-3,5a-Methanonaphtho[2,1-G]indol-10-Ol
4VO

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 33.06
Polar Surface Area: 45 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 336.5±5.0 cm3

Click to predict properties on the Chemicalize site


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