ChemSpider 2D Image | (3R,4R)-3-(Boc-amino)-1-Cbz-4-(hydroxymethyl)pyrrolidine | C18H26N2O5

(3R,4R)-3-(Boc-amino)-1-Cbz-4-(hydroxymethyl)pyrrolidine

  • Molecular FormulaC18H26N2O5
  • Average mass350.409 Da
  • Monoisotopic mass350.184174 Da
  • ChemSpider ID26403884

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-3-(Boc-amino)-1-Cbz-4-(hydroxymethyl)pyrrolidine
(3R,4R)-3-(Hydroxyméthyl)-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(hydroxymethyl)-, phenylmethyl ester, (3R,4R)- [ACD/Index Name]
246510-67-8 [RN]
370881-64-4 [RN]
Benzyl (3R,4R)-3-(hydroxymethyl)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(3R,4R)-3-(hydroxymethyl)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
cis-Benzyl 3-((tert-butoxycarbonyl)amino)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
(r)-(-)-1-cbz-3-pyrrolidinol
[370881-64-4] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 510.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.3±3.0 kJ/mol
    Flash Point: 262.6±30.1 °C
    Index of Refraction: 1.561
    Molar Refractivity: 93.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.75
    ACD/LogD (pH 5.5): 2.28
    ACD/BCF (pH 5.5): 31.52
    ACD/KOC (pH 5.5): 411.47
    ACD/LogD (pH 7.4): 2.28
    ACD/BCF (pH 7.4): 31.52
    ACD/KOC (pH 7.4): 411.46
    Polar Surface Area: 88 Å2
    Polarizability: 36.9±0.5 10-24cm3
    Surface Tension: 51.6±5.0 dyne/cm
    Molar Volume: 287.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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