ChemSpider 2D Image | (4aS,6R,8aS)-11-Methyl-3-[(~2~H_3_)methyloxy]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol 11-oxide | C17H18D3NO4

(4aS,6R,8aS)-11-Methyl-3-[(2H3)methyloxy]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol 11-oxide

  • Molecular FormulaC17H18D3NO4
  • Average mass306.371 Da
  • Monoisotopic mass306.165894 Da
  • ChemSpider ID58785092

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4aS,6R,8aS) 11-Oxyde de 11-méthyl-3-[(2H3)méthyloxy]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazépin-6-ol [French] [ACD/IUPAC Name]
(4aS,6R,8aS)-11-Methyl-3-[(2H3)methyloxy]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol 11-oxide [ACD/IUPAC Name]
(4aS,6R,8aS)-11-Methyl-3-[(2H3)methyloxy]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol-11-oxid [German] [ACD/IUPAC Name]
6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-11-methyl-3-(methyl-d3-oxy)-, 11-oxide, (4aS,6R,8aS)- [ACD/Index Name]
1217860-44-0 [RN]

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: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.57
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.13
Polar Surface Area: 56 Å2
Polarizability:
Surface Tension:
Molar Volume:

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