ChemSpider 2D Image | (2S,3aS,7aS)-1-[(2S)-2-{[(1S)-1-Carboxybutyl]amino}(~13~C_3_)propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) | C1413C3H28N2O5

(2S,3aS,7aS)-1-[(2S)-2-{[(1S)-1-Carboxybutyl]amino}(13C3)propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)

  • Molecular FormulaC1413C3H28N2O5
  • Average mass343.393 Da
  • Monoisotopic mass343.209900 Da
  • ChemSpider ID57268100

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3aS,7aS)-1-[(2S)-2-{[(1S)-1-Carboxybutyl]amino}(13C3)propanoyl]octahydro-1H-indol-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3aS,7aS)-1-[(2S)-2-{[(1S)-1-Carboxybutyl]amino}(13C3)propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2S,3aS,7aS)-1-[(2S)-2-{[(1S)-1-carboxybutyl]amino}(13C3)propanoyl]octahydro-1H-indole-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
95153-31-4 [RN]
PERINDOPRILAT-13C3

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: 1.535
Molar Refractivity: 86.7±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: 34.4±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 278.5±3.0 cm3

Click to predict properties on the Chemicalize site


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