ChemSpider 2D Image | AHU377-d4 | C24H25D4NO5

AHU377-d4

  • Molecular FormulaC24H25D4NO5
  • Average mass415.515 Da
  • Monoisotopic mass415.229675 Da
  • ChemSpider ID68004061

  • 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

[1,1'-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl-2,2,3,3-d4)amino]-α-methyl-, α-ethyl ester, (αR,γS)- [ACD/Index Name]
1884269-07-1 [RN]
4-{[(2S,4R)-1-(4-Biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxo(2H4)butanoic acid [ACD/IUPAC Name]
4-{[(2S,4R)-1-(4-Biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxo(2H4)butansäure [German] [ACD/IUPAC Name]
Acide 4-{[(2S,4R)-1-(4-biphénylyl)-5-éthoxy-4-méthyl-5-oxo-2-pentanyl]amino}-4-oxo(2H4)butanoïque [French] [ACD/IUPAC Name]
AHU377-d4
(αR,γS)-γ-[(3-carboxy-1-oxopropyl-2,2,3,3-d4)amino]-α-methyl-[1,1'-biphenyl]-4-pentanoicacid,α-ethylester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 656.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 351.1±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 113.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 65.95
ACD/KOC (pH 5.5): 366.69
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 5.76
Polar Surface Area: 93 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 357.4±3.0 cm3

Click to predict properties on the Chemicalize site


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