ChemSpider 2D Image | RAMIPRIL-D5 | C23H27D5N2O5

RAMIPRIL-D5

  • Molecular FormulaC23H27D5N2O5
  • Average mass421.541 Da
  • Monoisotopic mass421.262512 Da
  • ChemSpider ID48063371

  • 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,6aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-(2H5)phenyl-2-butanyl]amino}propanoyl]octahydrocyclopenta[b]pyrrol-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-(2H5)phenyl-2-butanyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
1132661-86-9 [RN]
Acide (2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-éthoxy-1-oxo-4-(2H5)phényl-2-butanyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
RAMIPRIL-D5
(2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-(phenyl-2,3,4,5,6-d5)propyl]amino]-1-oxopropyl]octahydro-cyclopenta[b]pyrrole-2-carboxylic acid
(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
(2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-(2H5)phenylbutan-2-yl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred 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: 616.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.1±3.0 kJ/mol
    Flash Point: 326.4±31.5 °C
    Index of Refraction: 1.556
    Molar Refractivity: 111.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.41
    ACD/LogD (pH 5.5): 1.17
    ACD/BCF (pH 5.5): 1.31
    ACD/KOC (pH 5.5): 9.57
    ACD/LogD (pH 7.4): -0.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 44.2±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 346.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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