ChemSpider 2D Image | N-[(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-N-(3-carboxypropyl)-D-valinamide | C27H33N3O8

N-[(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-N-(3-carboxypropyl)-D-valinamide

  • Molecular FormulaC27H33N3O8
  • Average mass527.566 Da
  • Monoisotopic mass527.226746 Da
  • ChemSpider ID17471565

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Valinamide, N-[2-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]glycyl-N-(3-carboxypropyl)- [ACD/Index Name]
N-[(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-N-(3-carboxypropyl)-D-valinamid [German] [ACD/IUPAC Name]
N-[(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-N-(3-carboxypropyl)-D-valinamide [ACD/IUPAC Name]
N-[2-(2,3,5-Triméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)acétyl]glycyl-N-(3-carboxypropyl)-D-valinamide [French] [ACD/IUPAC Name]
(R)-4-(3-methyl-2-(2-(2-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)acetamido)butanamido)butanoic acid
956970-49-3 [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: 909.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 138.5±3.0 kJ/mol
    Flash Point: 503.8±34.3 °C
    Index of Refraction: 1.574
    Molar Refractivity: 136.9±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 4.76
    ACD/KOC (pH 5.5): 56.53
    ACD/LogD (pH 7.4): -0.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 164 Å2
    Polarizability: 54.3±0.5 10-24cm3
    Surface Tension: 52.0±3.0 dyne/cm
    Molar Volume: 414.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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