ChemSpider 2D Image | 2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-5-oxopentanoic acid | C29H35NO8

2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-5-oxopentanoic acid

  • Molecular FormulaC29H35NO8
  • Average mass525.590 Da
  • Monoisotopic mass525.236267 Da
  • ChemSpider ID4221224

More details:

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

1,1,3-Propanetricarboxylic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1,1-bis(1,1-dimethylethyl) ester [ACD/Index Name]
2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-5-oxopentanoic acid [ACD/IUPAC Name]
2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-5-[(2-méthyl-2-propanyl)oxy]-4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-5-oxopentanoïque [French] [ACD/IUPAC Name]
111662-64-7 [RN]
111662-65-8 [RN]
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1,1,3-propanetricarboxylic acid 1,1-bis(1,1-dimethylethyl) ester
308357-14-4 [RN]
5-(TERT-BUTOXY)-4-(TERT-BUTOXYCARBONYL)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-5-OXOPENTANOIC ACID
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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: 695.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.0±3.0 kJ/mol
    Flash Point: 374.3±31.5 °C
    Index of Refraction: 1.554
    Molar Refractivity: 138.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 6.83
    ACD/LogD (pH 5.5): 3.66
    ACD/BCF (pH 5.5): 95.41
    ACD/KOC (pH 5.5): 192.87
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 5.13
    ACD/KOC (pH 7.4): 10.36
    Polar Surface Area: 128 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 48.1±3.0 dyne/cm
    Molar Volume: 431.7±3.0 cm3

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