(4aR,11R,11aS)-11-Methyl-9-(trifluoromethyl)-2,3,4,4a,5,6,11,11a-octahydro-1H-pyrido[4,3-b]carbazol-2-ium (2R)-(2-chlorophenyl)(hydroxy)acetate methanol (1:1:1)

Molecular FormulaC₂₆H₃₀ClF₃N₂O₄
Average mass526.976 Da
Monoisotopic mass526.184631 Da
ChemSpider ID30658620

- 3 of 3 defined stereocentres

More details:

Names and Synonyms

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

(2R)-(2-Chlorophényl)(hydroxy)acétate de (4aR,11R,11aS)-11-méthyl-9-(trifluorométhyl)-2,3,4,4a,5,6,11,11a-octahydro-1H-pyrido[4,3-b]carbazol-2-ium - méthanol (1:1:1) [French] [ACD/IUPAC Name]

(4aR,11R,11aS)-11-Methyl-9-(trifluormethyl)-2,3,4,4a,5,6,11,11a-octahydro-1H-pyrido[4,3-b]carbazol-2-ium-(2R)-(2-chlorphenyl)(hydroxy)acetat -methanol (1:1:1) [German] [ACD/IUPAC Name]

(4aR,11R,11aS)-11-Methyl-9-(trifluoromethyl)-2,3,4,4a,5,6,11,11a-octahydro-1H-pyrido[4,3-b]carbazol-2-ium (2R)-(2-chlorophenyl)(hydroxy)acetate methanol (1:1:1) [ACD/IUPAC Name]

Predicted - ACD/Labs
Predicted - ChemAxon

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

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

(4aR,11R,11aS)-11-Methyl-9-(trifluoromethyl)-2,3,4,4a,5,6,11,11a-octahydro-1H-pyrido[4,3-b]carbazol-2-ium (2R)-(2-chlorophenyl)(hydroxy)acetate methanol (1:1:1)

More details:

Search ChemSpider:

Search Google: