ChemSpider 2D Image | ethyl (1R,3S,4S)-4-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclohexane-1-carboxylate | C14H25NO5

ethyl (1R,3S,4S)-4-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclohexane-1-carboxylate

  • Molecular FormulaC14H25NO5
  • Average mass287.352 Da
  • Monoisotopic mass287.173279 Da
  • ChemSpider ID32743269

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3S,4S)-3-Hydroxy-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)cyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
1392745-66-2 [RN]
Cyclohexanecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, ethyl ester, (1R,3S,4S)- [ACD/Index Name]
Ethyl (1R,3S,4S)-3-hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexanecarboxylate [ACD/IUPAC Name]
ethyl (1R,3S,4S)-4-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclohexane-1-carboxylate
Ethyl-(1R,3S,4S)-3-hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexancarboxylat [German] [ACD/IUPAC Name]
(1R,3S,4S)-4-(Boc-amino)-3-hydroxy-cyclohexanecarboxylic acid ethyl ester
(1R,3S,4S)-Ethyl 4-((tert-butoxycarbonyl)amino)-3-hydroxycyclohexanecarboxylate
Chemistry 13818
ethyl (1R,3S,4S)-4-[(tert-butoxycarbonyl)amino]-3-hydroxycyclohexane-1-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 406.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 76.1±6.0 kJ/mol
    Flash Point: 199.7±28.7 °C
    Index of Refraction: 1.490
    Molar Refractivity: 73.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.62
    ACD/LogD (pH 5.5): 1.80
    ACD/BCF (pH 5.5): 13.68
    ACD/KOC (pH 5.5): 226.31
    ACD/LogD (pH 7.4): 1.80
    ACD/BCF (pH 7.4): 13.67
    ACD/KOC (pH 7.4): 226.30
    Polar Surface Area: 85 Å2
    Polarizability: 29.2±0.5 10-24cm3
    Surface Tension: 41.8±5.0 dyne/cm
    Molar Volume: 254.7±5.0 cm3

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