ChemSpider 2D Image | (2R)-2-{[(Benzyloxy)carbonyl]amino}-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid | C27H26N2O6

(2R)-2-{[(Benzyloxy)carbonyl]amino}-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

  • Molecular FormulaC27H26N2O6
  • Average mass474.505 Da
  • Monoisotopic mass474.179077 Da
  • ChemSpider ID26000147

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-{[(Benzyloxy)carbonyl]amino}-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid [ACD/IUPAC Name]
(2R)-2-{[(Benzyloxy)carbonyl]amino}-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-{[(benzyloxy)carbonyl]amino}-4-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-[[(phenylmethoxy)carbonyl]amino]-, (2R)- [ACD/Index Name]
(2R)-2-{[(BENZYLOXY)CARBONYL]AMINO}-4-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)BUTANOIC ACID
(2R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)butanoic acid
(2R)-4-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-[[(phenylmethoxy)carbonyl]amino]butanoic acid
(R)-4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(((benzyloxy)carbonyl)amino)butanoic acid
369611-58-5 [RN]
MFCD06796914 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 739.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.2±3.0 kJ/mol
    Flash Point: 401.2±32.9 °C
    Index of Refraction: 1.616
    Molar Refractivity: 127.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 5.58
    ACD/LogD (pH 5.5): 2.78
    ACD/BCF (pH 5.5): 23.44
    ACD/KOC (pH 5.5): 81.88
    ACD/LogD (pH 7.4): 1.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.04
    Polar Surface Area: 114 Å2
    Polarizability: 50.6±0.5 10-24cm3
    Surface Tension: 57.6±3.0 dyne/cm
    Molar Volume: 365.2±3.0 cm3

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