ChemSpider 2D Image | N~5~-Carbamoyl-N~2~-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-ornithine | C23H27N3O7

N5-Carbamoyl-N2-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-ornithine

  • Molecular FormulaC23H27N3O7
  • Average mass457.476 Da
  • Monoisotopic mass457.184906 Da
  • ChemSpider ID22871504

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Ornithine, N5-(aminocarbonyl)-N2-[2-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]- [ACD/Index Name]
N5-Carbamoyl-N2-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-ornithin [German] [ACD/IUPAC Name]
N5-Carbamoyl-N2-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-ornithine [ACD/IUPAC Name]
N5-Carbamoyl-N2-[2-(2,3,5,9-tétraméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)acétyl]-L-ornithine [French] [ACD/IUPAC Name]
(2S)-2-[[2-(7-keto-2,3,5,9-tetramethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-5-ureido-valeric acid
(2S)-5-(carbamoylamino)-2-[[2-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid
(S)-2-(2-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-5-ureidopentanoic acid
956777-77-8 [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: 778.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.8±3.0 kJ/mol
    Flash Point: 424.4±32.9 °C
    Index of Refraction: 1.601
    Molar Refractivity: 118.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): -0.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.05
    ACD/LogD (pH 7.4): -1.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 161 Å2
    Polarizability: 47.0±0.5 10-24cm3
    Surface Tension: 57.0±3.0 dyne/cm
    Molar Volume: 346.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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