ChemSpider 2D Image | N-[(Benzyloxy)methyl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-L-alanine | C26H26N2O5

N-[(Benzyloxy)methyl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-L-alanine

  • Molecular FormulaC26H26N2O5
  • Average mass446.495 Da
  • Monoisotopic mass446.184174 Da
  • ChemSpider ID28536277

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[(BENZYLOXY)METHYL]AMINO}-3-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)PROPANOIC ACID
142855-80-9 [RN]
L-Alanine, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-N-[(phenylmethoxy)methyl]- [ACD/Index Name]
N-[(Benzyloxy)methyl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-L-alanin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)methyl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-L-alanine [ACD/IUPAC Name]
N-[(Benzyloxy)méthyl]-3-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-L-alanine [French] [ACD/IUPAC Name]
(2S)-2-{[(BENZYLOXY)METHYL]AMINO}-3-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}PROPANOIC ACID
(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(phenylmethoxymethylamino)propanoic acid
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(((benzyloxy)methyl)amino)propanoic acid
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(((benzyloxy)methyl)amino)propanoicacid
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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: 666.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.9±3.0 kJ/mol
    Flash Point: 356.6±31.5 °C
    Index of Refraction: 1.617
    Molar Refractivity: 123.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 5.85
    ACD/LogD (pH 5.5): 2.81
    ACD/BCF (pH 5.5): 25.77
    ACD/KOC (pH 5.5): 93.14
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 1.64
    ACD/KOC (pH 7.4): 5.92
    Polar Surface Area: 97 Å2
    Polarizability: 48.8±0.5 10-24cm3
    Surface Tension: 55.9±3.0 dyne/cm
    Molar Volume: 351.6±3.0 cm3

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