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Search term: LKCQOFXWGIJPPL-KPNPWFHDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{3-[(2R)-2-{[(2R)-2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl]phenyl}-N-(3-{3-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-hydroxyphenyl}propyl)acetamide | C43H57N3O5

2-{3-[(2R)-2-{[(2R)-2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl]phenyl}-N-(3-{3-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-hydroxyphenyl}propyl)acetamide

  • Molecular FormulaC43H57N3O5
  • Average mass695.930 Da
  • Monoisotopic mass695.429810 Da
  • ChemSpider ID26344045

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-{3-[(2R)-2-{[(2R)-2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl]phenyl}-N-(3-{3-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-hydroxyphenyl}propyl)acetamid [German] [ACD/IUPAC Name]
2-{3-[(2R)-2-{[(2R)-2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl]phenyl}-N-(3-{3-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-hydroxyphenyl}propyl)acetamide [ACD/IUPAC Name]
2-{3-[(2R)-2-{[(2R)-2-(3,5-Dihydroxyphényl)-2-hydroxyéthyl]amino}propyl]phényl}-N-(3-{3-[(1R)-3-(diisopropylamino)-1-phénylpropyl]-4-hydroxyphényl}propyl)acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[3-[3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxyphenyl]propyl]-3-[(2R)-2-[[(2R)-2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 884.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.7±3.0 kJ/mol
Flash Point: 488.7±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 206.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.98
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 3.00
Polar Surface Area: 125 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 604.4±3.0 cm3

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