Found 2 results

Search term: QCLDAHVVVNMYLA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Hydroxy-5-[(3R,4R,6aS,8R,9bR)-3,6,8-trimethyl-2,3a,4,6a,7,8,9,9b-octahydro-3H-benzo[de]quinolinium-4-yl]phenyl sulfate | C21H27NO5S

3-Hydroxy-5-[(3R,4R,6aS,8R,9bR)-3,6,8-trimethyl-2,3a,4,6a,7,8,9,9b-octahydro-3H-benzo[de]quinolinium-4-yl]phenyl sulfate

  • Molecular FormulaC21H27NO5S
  • Average mass405.508 Da
  • Monoisotopic mass405.160980 Da
  • ChemSpider ID26590781

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1,3-Benzenediol, 5-[(3R,4R,6aS,8R,9bR)-2,3a,4,6a,7,8,9,9b-octahydro-3,6,8-trimethyl-3H-benzo[de]quinolin-4-yl]-, mono(hydrogen sulfate) (ester) [ACD/Index Name]
3-Hydroxy-5-[(3R,4R,6aS,8R,9bR)-3,6,8-trimethyl-2,3a,4,6a,7,8,9,9b-octahydro-3H-benzo[de]chinolinium-4-yl]phenylsulfat [German] [ACD/IUPAC Name]
3-Hydroxy-5-[(3R,4R,6aS,8R,9bR)-3,6,8-trimethyl-2,3a,4,6a,7,8,9,9b-octahydro-3H-benzo[de]quinolinium-4-yl]phenyl sulfate [ACD/IUPAC Name]
Sulfate de 3-hydroxy-5-[(3R,4R,6aS,8R,9bR)-3,6,8-triméthyl-2,3a,4,6a,7,8,9,9b-octahydro-3H-benzo[de]quinoléinium-4-yl]phényle [French] [ACD/IUPAC Name]

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: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 5.49
ACD/KOC (pH 5.5): 22.90
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 4.05
ACD/KOC (pH 7.4): 16.88
Polar Surface Area: 109 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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