ChemSpider 2D Image | (2R)-Phenyl[({1-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-2-piperidinyl}carbonyl)amino]acetic acid | C30H30N2O7

(2R)-Phenyl[({1-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-2-piperidinyl}carbonyl)amino]acetic acid

  • Molecular FormulaC30H30N2O7
  • Average mass530.568 Da
  • Monoisotopic mass530.205322 Da
  • ChemSpider ID17469663

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-Phenyl[({1-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-2-piperidinyl}carbonyl)amino]acetic acid [ACD/IUPAC Name]
(2R)-Phenyl[({1-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-2-piperidinyl}carbonyl)amino]essigsäure [German] [ACD/IUPAC Name]
Acide (2R)-phényl[({1-[2-(2,3,5-triméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)acétyl]-2-pipéridinyl}carbonyl)amino]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[[1-[2-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-2-piperidinyl]carbonyl]amino]-, (αR)- [ACD/Index Name]
(2R)-2-phenyl-2-(1-(2-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl)piperidine-2-carboxamido)acetic acid
(2R)-2-phenyl-2-[[1-[2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]piperidine-2-carbonyl]amino]acetic acid
1047663-68-2 [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: 833.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 127.0±3.0 kJ/mol
    Flash Point: 457.9±34.3 °C
    Index of Refraction: 1.626
    Molar Refractivity: 141.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.24
    ACD/LogD (pH 5.5): 1.53
    ACD/BCF (pH 5.5): 2.09
    ACD/KOC (pH 5.5): 10.99
    ACD/LogD (pH 7.4): 0.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 126 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 57.8±3.0 dyne/cm
    Molar Volume: 400.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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