ChemSpider 2D Image | 2-Benzyl 1-(2-methyl-2-propanyl) (2S,4S)-4-hydroxy-1,2-pyrrolidinedicarboxylate | C17H23NO5

2-Benzyl 1-(2-methyl-2-propanyl) (2S,4S)-4-hydroxy-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC17H23NO5
  • Average mass321.368 Da
  • Monoisotopic mass321.157623 Da
  • ChemSpider ID35303237

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-Hydroxy-1,2-pyrrolidinedicarboxylate de 2-benzyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S,4S)- [ACD/Index Name]
2-Benzyl 1-(2-methyl-2-propanyl) (2S,4S)-4-hydroxy-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
2-Benzyl-1-(2-methyl-2-propanyl)-(2S,4S)-4-hydroxy-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-2-benzyl 1-tert-butyl 4-hydroxypyrrolidine-1,2-dicarboxylate
132622-90-3 [RN]
2-benzyl 1-tert-butyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
396730-05-5 [RN]
Benzyl (4S)-1-Boc-4-hydroxy-L-prolinate
Boc-Cis-Hyp-OBzl
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 441.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±3.0 kJ/mol
    Flash Point: 220.8±28.7 °C
    Index of Refraction: 1.552
    Molar Refractivity: 83.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.56
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 49.09
    ACD/KOC (pH 5.5): 564.96
    ACD/LogD (pH 7.4): 2.53
    ACD/BCF (pH 7.4): 49.09
    ACD/KOC (pH 7.4): 564.96
    Polar Surface Area: 76 Å2
    Polarizability: 33.2±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 262.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement