ChemSpider 2D Image | 2-{[(7S)-7-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl}amino)-5,6,7,8-tetrahydro-2-naphthalenyl]oxy}-N,N-bis[(~2~H_3_)methyl]acetamide | C24H26D6N2O5

2-{[(7S)-7-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl}amino)-5,6,7,8-tetrahydro-2-naphthalenyl]oxy}-N,N-bis[(2H3)methyl]acetamide

  • Molecular FormulaC24H26D6N2O5
  • Average mass434.558 Da
  • Monoisotopic mass434.268768 Da
  • ChemSpider ID58781688

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-{[(7S)-7-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(2-hydroxyéthyl)phényl]éthyl}amino)-5,6,7,8-tétrahydro-2-naphtalényl]oxy}-N,N-bis[(2H3)méthyl]acétamide [French] [ACD/IUPAC Name]
2-{[(7S)-7-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl}amino)-5,6,7,8-tetrahydro-2-naphthalenyl]oxy}-N,N-bis[(2H3)methyl]acetamide [ACD/IUPAC Name]
2-{[(7S)-7-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl}amino)-5,6,7,8-tetrahydro-2-naphthalinyl]oxy}-N,N-bis[(2H3)methyl]acetamid [German] [ACD/IUPAC Name]
Acetamide, N,N-di(methyl-d3)-2-[[(7S)-5,6,7,8-tetrahydro-7-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-2-naphthalenyl]oxy]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 695.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.7±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.47
Polar Surface Area: 102 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 335.4±5.0 cm3

Click to predict properties on the Chemicalize site


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