ChemSpider 2D Image | APC | C33H38N4O8

APC

  • Molecular FormulaC33H38N4O8
  • Average mass618.677 Da
  • Monoisotopic mass618.268982 Da
  • ChemSpider ID8253122

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[(4-carboxybutyl)amino]-, 1-[(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl] ester [ACD/Index Name]
5-{[1-({[(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-9-yl]oxy}carbonyl)-4-piperidinyl]amino}pentansäure [German] [ACD/IUPAC Name]
5-{[1-({[(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}carbonyl)-4-piperidinyl]amino}pentanoic acid [ACD/IUPAC Name]
Acide 5-{[1-({[(4S)-4,11-diéthyl-4-hydroxy-3,14-dioxo-3,4,12,14-tétrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléin-9-yl]oxy}carbonyl)-4-pipéridinyl]amino}pentanoïque [French] [ACD/IUPAC Name]
APC
(E)-2-(benzylideneamino)-1,2-dihydroisoquinoline-3,4-dione
(S)-5-((1-(((4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl)oxy)carbonyl)piperidin-4-yl)amino)pentanoic acid
1217816-76-6 [RN]
181467-56-1 [RN]
1-Piperidinecarboxylic acid, 4-[(4-carboxybutyl)amino]-, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 953.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 145.4±3.0 kJ/mol
    Flash Point: 530.5±34.3 °C
    Index of Refraction: 1.679
    Molar Refractivity: 162.6±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.92
    ACD/LogD (pH 5.5): 0.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.74
    ACD/LogD (pH 7.4): 0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.37
    Polar Surface Area: 159 Å2
    Polarizability: 64.5±0.5 10-24cm3
    Surface Tension: 77.3±5.0 dyne/cm
    Molar Volume: 430.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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