ChemSpider 2D Image | N~6~-Carbamoyl-N~2~-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-lysylglycine | C26H32N4O8

N6-Carbamoyl-N2-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-lysylglycine

  • Molecular FormulaC26H32N4O8
  • Average mass528.554 Da
  • Monoisotopic mass528.221985 Da
  • ChemSpider ID17469921

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Glycine, N6-(aminocarbonyl)-N2-[1-oxo-3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propyl]-L-lysyl- [ACD/Index Name]
N6-Carbamoyl-N2-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-lysylglycin [German] [ACD/IUPAC Name]
N6-Carbamoyl-N2-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-lysylglycine [ACD/IUPAC Name]
N6-Carbamoyl-N2-[3-(2,3,5-triméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)propanoyl]-L-lysylglycine [French] [ACD/IUPAC Name]
(S)-2-(2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-6-ureidohexanamido)acetic acid
956826-55-4 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 899.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 137.0±3.0 kJ/mol
    Flash Point: 498.0±34.3 °C
    Index of Refraction: 1.592
    Molar Refractivity: 135.8±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 6
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 2.00
    ACD/LogD (pH 5.5): -0.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.14
    ACD/LogD (pH 7.4): -2.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 190 Å2
    Polarizability: 53.9±0.5 10-24cm3
    Surface Tension: 57.5±3.0 dyne/cm
    Molar Volume: 401.7±3.0 cm3

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