ChemSpider 2D Image | (3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid | C24H27NO6

(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid

  • Molecular FormulaC24H27NO6
  • Average mass425.474 Da
  • Monoisotopic mass425.183838 Da
  • ChemSpider ID24541513

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-5-[(2-méthyl-2-propanyl)oxy]-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, mono(1,1-dimethylethyl) ester, (3S)- [ACD/Index Name]
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
(3S)-4-[(tert-butyl)oxycarbonyl]-3-[(fluoren-9-ylmethoxy)carbonylamino]butanoic acid
(3S)-5-(TERT-BUTOXY)-3-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-5-OXOPENTANOIC ACID
(3S)-5-(TERT-BUTOXY)-3-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-5-OXOPENTANOIC ACID
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid
1246651-90-0 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 637.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.9±3.0 kJ/mol
    Flash Point: 339.1±31.5 °C
    Index of Refraction: 1.571
    Molar Refractivity: 113.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 5.21
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 89.60
    ACD/KOC (pH 5.5): 347.00
    ACD/LogD (pH 7.4): 1.56
    ACD/BCF (pH 7.4): 1.57
    ACD/KOC (pH 7.4): 6.09
    Polar Surface Area: 102 Å2
    Polarizability: 45.0±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 345.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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