ChemSpider 2D Image | 6-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]hexanoic acid | C27H34N2O7

6-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]hexanoic acid

  • Molecular FormulaC27H34N2O7
  • Average mass498.568 Da
  • Monoisotopic mass498.236603 Da
  • ChemSpider ID31092841

More details:

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

6-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]hexanoic acid [ACD/IUPAC Name]
6-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]hexansäure [German] [ACD/IUPAC Name]
Acide 6-[(7-acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl)amino]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]- [ACD/Index Name]
1797130-90-5 [RN]
6-({10-acetamido-3,4,5-trimethoxy-13-oxotricyclo[9.5.0.0²,?]hexadeca-1(16),2(7),3,5,11,14-hexaen-14-yl}amino)hexanoic acid
6-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 835.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 127.3±3.0 kJ/mol
    Flash Point: 459.1±34.3 °C
    Index of Refraction: 1.592
    Molar Refractivity: 133.3±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 1.22
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 2.27
    ACD/KOC (pH 5.5): 36.72
    ACD/LogD (pH 7.4): -0.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 123 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 56.1±5.0 dyne/cm
    Molar Volume: 394.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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