ChemSpider 2D Image | (S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-6-methyl-heptanoic acid | C23H27NO4

(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-6-methyl-heptanoic acid

  • Molecular FormulaC23H27NO4
  • Average mass381.465 Da
  • Monoisotopic mass381.194000 Da
  • ChemSpider ID30988336

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-6-methylheptanoic acid [ACD/IUPAC Name]
(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-6-methylheptansäure [German] [ACD/IUPAC Name]
(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-6-methyl-heptanoic acid
329270-51-1 [RN]
Acide (2S)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-6-méthylheptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-6-methyl-, (2S)- [ACD/Index Name]
(2S)-2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-6-METHYLHEPTANOIC ACID
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylheptanoic acid
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-methylheptanoic acid
(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-6-methylheptanoic 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: 576.7±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.8±3.0 kJ/mol
    Flash Point: 302.6±25.4 °C
    Index of Refraction: 1.571
    Molar Refractivity: 107.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 6.02
    ACD/LogD (pH 5.5): 3.08
    ACD/BCF (pH 5.5): 43.04
    ACD/KOC (pH 5.5): 140.60
    ACD/LogD (pH 7.4): 1.55
    ACD/BCF (pH 7.4): 1.27
    ACD/KOC (pH 7.4): 4.15
    Polar Surface Area: 76 Å2
    Polarizability: 42.4±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 325.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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