Found 9 results

Search term: RFIXURDMUINBMD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[(1S,2S)-1-Hydroxy-2-{[(2R)-4-phenyl-2-butanyl]amino}propyl]-2,6-diiodophenol | C19H23I2NO2

4-[(1S,2S)-1-Hydroxy-2-{[(2R)-4-phenyl-2-butanyl]amino}propyl]-2,6-diiodophenol

  • Molecular FormulaC19H23I2NO2
  • Average mass551.200 Da
  • Monoisotopic mass550.981812 Da
  • ChemSpider ID34991631

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-[(1S,2S)-1-Hydroxy-2-{[(2R)-4-phenyl-2-butanyl]amino}propyl]-2,6-diiodophenol [ACD/IUPAC Name]
4-[(1S,2S)-1-Hydroxy-2-{[(2R)-4-phényl-2-butanyl]amino}propyl]-2,6-diiodophénol [French] [ACD/IUPAC Name]
4-[(1S,2S)-1-Hydroxy-2-{[(2R)-4-phenyl-2-butanyl]amino}propyl]-2,6-diiodphenol [German] [ACD/IUPAC Name]
Benzenemethanol, 4-hydroxy-3,5-diiodo-α-[(1S)-1-[[(1R)-1-methyl-3-phenylpropyl]amino]ethyl]-, (αS)- [ACD/Index Name]
22103-14-6 [RN]
244-781-8 [EINECS]
Bufeniode [INN]
UNII-JC82071PQS

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

Density: 1.7±0.1 g/cm3
Boiling Point: 526.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.2±30.1 °C
Index of Refraction: 1.657
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 8.35
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 14.21
ACD/KOC (pH 7.4): 57.75
Polar Surface Area: 52 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 315.9±3.0 cm3

Click to predict properties on the Chemicalize site


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