ChemSpider 2D Image | N-[(6'-Methyl-8'-oxo-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-7'-yl)acetyl]norvalylglycine | C27H34N2O7

N-[(6'-Methyl-8'-oxo-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-7'-yl)acetyl]norvalylglycine

  • Molecular FormulaC27H34N2O7
  • Average mass498.568 Da
  • Monoisotopic mass498.236603 Da
  • ChemSpider ID21772265

More details:

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

Glycine, N-[2-(3,4-dihydro-6-methyl-8-oxospiro[2H,8H-benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-7-yl)acetyl]norvalyl- [ACD/Index Name]
N-[(6'-Methyl-8'-oxo-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-7'-yl)acetyl]norvalylglycine [ACD/IUPAC Name]
2-(2-(2-(6'-methyl-8'-oxo-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-7'-yl)acetamido)pentanamido)acetic acid
2-{2-[2-(12-methyl-14-oxospiro[cyclohexane-1,2'-pyrano[5,6-g]chromane]-13-yl)acetylamino]pentanoylamino}acetic 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: 815.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.2±3.0 kJ/mol
    Flash Point: 446.8±34.3 °C
    Index of Refraction: 1.599
    Molar Refractivity: 130.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.23
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 6.62
    ACD/KOC (pH 5.5): 27.87
    ACD/LogD (pH 7.4): 0.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.60
    Polar Surface Area: 131 Å2
    Polarizability: 51.6±0.5 10-24cm3
    Surface Tension: 60.3±5.0 dyne/cm
    Molar Volume: 380.6±5.0 cm3

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