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Search term: 202467-69-4 (Found by approved synonym)
ChemSpider 2D Image | Ertapenem Side Chain Enantiomer 1 | C20H19N3O7S

Ertapenem Side Chain Enantiomer 1

  • Molecular FormulaC20H19N3O7S
  • Average mass445.446 Da
  • Monoisotopic mass445.094360 Da
  • ChemSpider ID21429086

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(4-Nitrophenyl)methyl] (2S,4S)-2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-1-pyrrolidinecarboxylate
1-Pyrrolidinecarboxylic acid, 2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-, 1-[(4-nitrophenyl)methyl] ester, (2S,4S)- [ACD/Index Name]
202467-69-4 [RN]
3-({[(2S,4S)-1-{[(4-Nitrobenzyl)oxy]carbonyl}-4-sulfanyl-2-pyrrolidinyl]carbonyl}amino)benzoic acid
3-{[(4S)-1-{[(4-Nitrobenzyl)oxy]carbonyl}-4-sulfanyl-L-prolyl]amino}benzoesäure [German] [ACD/IUPAC Name]
3-{[(4S)-1-{[(4-Nitrobenzyl)oxy]carbonyl}-4-sulfanyl-L-prolyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 3-{[(4S)-1-{[(4-nitrobenzyl)oxy]carbonyl}-4-sulfanyl-L-prolyl]amino}benzoïque [French] [ACD/IUPAC Name]
Ertapenem Side Chain Enantiomer 1
[202467-69-4] [RN]
2-(((3-carboxyphenyl)amino)carbonyl)-4-mercapto-1-pyrrolidinecarboxylic acid (2s-cis)-1-((4-nitrophenyl)methyl) ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 749.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 114.6±3.0 kJ/mol
    Flash Point: 407.1±32.9 °C
    Index of Refraction: 1.676
    Molar Refractivity: 111.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 1.89
    ACD/BCF (pH 5.5): 7.43
    ACD/KOC (pH 5.5): 58.00
    ACD/LogD (pH 7.4): 0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.80
    Polar Surface Area: 181 Å2
    Polarizability: 44.2±0.5 10-24cm3
    Surface Tension: 77.8±5.0 dyne/cm
    Molar Volume: 296.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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