ChemSpider 2D Image | (6R,8aS)-6-Hydroxy-3-methoxy-11,11-dimethyl-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium | C18H24NO3

(6R,8aS)-6-Hydroxy-3-methoxy-11,11-dimethyl-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium

  • Molecular FormulaC18H24NO3
  • Average mass302.388 Da
  • Monoisotopic mass302.175079 Da
  • ChemSpider ID21470609

  • Charge - Charge

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6R,8aS)-6-Hydroxy-3-methoxy-11,11-dimethyl-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium [German] [ACD/IUPAC Name]
(6R,8aS)-6-Hydroxy-3-methoxy-11,11-dimethyl-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium [ACD/IUPAC Name]
(6R,8aS)-6-Hydroxy-3-méthoxy-11,11-diméthyl-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazépin-11-ium [French] [ACD/IUPAC Name]
6H-Benzofuro[3a,3,2-ef][2]benzazepinium, 4a,5,9,10,11,12-hexahydro-6-hydroxy-3-methoxy-11,11-dimethyl-, (6R,8aS)- [ACD/Index Name]
9-methoxy-4,4-dimethyl-(1S,14R)-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraen-14-ol
CHEMBL85404

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: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.32
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 39 Å2
Polarizability:
Surface Tension:
Molar Volume:

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