ChemSpider 2D Image | 7-[(3-Hydroxy-2-phenylpropanoyl)oxy]-9-methyl-9-(~3~H_3_)methyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane | C18H21T3NO4

7-[(3-Hydroxy-2-phenylpropanoyl)oxy]-9-methyl-9-(3H3)methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane

  • Molecular FormulaC18H21T3NO4
  • Average mass324.411 Da
  • Monoisotopic mass324.194672 Da
  • ChemSpider ID21169311

  • Charge - Charge

    Non-standard isotope - Non-standard isotope

More details:

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

3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-9-(methyl-t3)- [ACD/Index Name]
7-[(3-Hydroxy-2-phenylpropanoyl)oxy]-9-methyl-9-(3H3)methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan [German] [ACD/IUPAC Name]
7-[(3-Hydroxy-2-phenylpropanoyl)oxy]-9-methyl-9-(3H3)methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane [ACD/IUPAC Name]
7-[(3-Hydroxy-2-phénylpropanoyl)oxy]-9-méthyl-9-(3H3)méthyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane [French] [ACD/IUPAC Name]
[3H]-N-Methylscopolamine

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

nchembio.2007.55-comp23 [DBID]

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: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.64
Polar Surface Area: 59 Å2
Polarizability:
Surface Tension:
Molar Volume:

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