ChemSpider 2D Image | (2S)-3-(2'-Ethyl-4'-methoxy-4-biphenylyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid | C33H31NO5

(2S)-3-(2'-Ethyl-4'-methoxy-4-biphenylyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

  • Molecular FormulaC33H31NO5
  • Average mass521.603 Da
  • Monoisotopic mass521.220215 Da
  • ChemSpider ID28408660

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(2'-Ethyl-4'-methoxy-4-biphenylyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid [ACD/IUPAC Name]
(2S)-3-(2'-Ethyl-4'-methoxy-4-biphenylyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propansäure [German] [ACD/IUPAC Name]
872142-89-7 [RN]
Acide (2S)-3-(2'-éthyl-4'-méthoxy-4-biphénylyl)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}propanoïque [French] [ACD/IUPAC Name]
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(2'-ethyl-4'-methoxy-[1,1'-biphenyl]-4-yl)propanoic acid
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-ethyl-4-methoxy-[1,1-biphenyl]-4-yl)propanoic acid(WXC03986)

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 741.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.4±3.0 kJ/mol
    Flash Point: 402.0±32.9 °C
    Index of Refraction: 1.619
    Molar Refractivity: 149.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 7.97
    ACD/LogD (pH 5.5): 4.91
    ACD/BCF (pH 5.5): 970.05
    ACD/KOC (pH 5.5): 1187.36
    ACD/LogD (pH 7.4): 3.46
    ACD/BCF (pH 7.4): 35.20
    ACD/KOC (pH 7.4): 43.09
    Polar Surface Area: 85 Å2
    Polarizability: 59.2±0.5 10-24cm3
    Surface Tension: 51.7±3.0 dyne/cm
    Molar Volume: 425.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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