ChemSpider 2D Image | (2S,4R)-5-(4-Biphenylyl)-4-{[3-(~13~C)carboxy(~13~C_3_)propanoyl]amino}-2-methylpentanoic acid | C1813C4H25NO5

(2S,4R)-5-(4-Biphenylyl)-4-{[3-(13C)carboxy(13C3)propanoyl]amino}-2-methylpentanoic acid

  • Molecular FormulaC1813C4H25NO5
  • Average mass387.408 Da
  • Monoisotopic mass387.186707 Da
  • ChemSpider ID111312028

  • 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

(2S,4R)-5-(4-Biphenylyl)-4-{[3-(13C)carboxy(13C3)propanoyl]amino}-2-methylpentanoic acid [ACD/IUPAC Name]
(2S,4R)-5-(4-Biphenylyl)-4-{[3-(13C)carboxy(13C3)propanoyl]amino}-2-methylpentansäure [German] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-pentanoic acid, γ-[[3-(carboxy-13C)-1-oxopropyl-1,2,3-13C3]amino]-α-methyl-, (αS,γR)- [ACD/Index Name]
Acide (2S,4R)-5-(4-biphénylyl)-4-{[3-(13C)carboxy(13C3)propanoyl]amino}-2-méthylpentanoïque [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 315.5±3.0 cm3

Click to predict properties on the Chemicalize site


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