ChemSpider 2D Image | (2R)-2-[(2R)-6-Fluoro-3,4-dihydro-2H-chromen-2-yl]-N-{(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl}-2-hydroxyethanaminium | C22H26F2NO4

(2R)-2-[(2R)-6-Fluoro-3,4-dihydro-2H-chromen-2-yl]-N-{(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl}-2-hydroxyethanaminium

  • Molecular FormulaC22H26F2NO4
  • Average mass406.442 Da
  • Monoisotopic mass406.182434 Da
  • ChemSpider ID58170342

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-[(2R)-6-Fluor-3,4-dihydro-2H-chromen-2-yl]-N-{(2R)-2-[(2S)-6-fluor-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl}-2-hydroxyethanaminium [German] [ACD/IUPAC Name]
(2R)-2-[(2R)-6-Fluoro-3,4-dihydro-2H-chromen-2-yl]-N-{(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl}-2-hydroxyethanaminium [ACD/IUPAC Name]
(2R)-2-[(2R)-6-Fluoro-3,4-dihydro-2H-chromén-2-yl]-N-{(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromén-2-yl]-2-hydroxyéthyl}-2-hydroxyéthanaminium [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, conjugate acid, (αR,2S)- [ACD/Index Name]
(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-N-{(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl}-2-hydroxyethan-1-aminium
(S,R,R,R)-nebivolol cation
(S,R,R,R)-nebivolol(1+)
  • Miscellaneous

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

Density:
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 17.51
ACD/KOC (pH 7.4): 113.20
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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