Found 111 results

Search term: MF = 'C_{29}H_{27}NO_{6}S'
ChemSpider 2D Image | 7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate | C29H27NO6S

7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate

  • Molecular FormulaC29H27NO6S
  • Average mass517.593 Da
  • Monoisotopic mass517.155884 Da
  • ChemSpider ID1409440

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate [ACD/IUPAC Name]
7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl-N-[(4-methylphenyl)sulfonyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, N-[(4-methylphenyl)sulfonyl]-, 1,2,3,4-tetrahydro-7-methyl-4-oxobenzo[b]cyclopenta[d]pyran-9-yl ester [ACD/Index Name]
N-[(4-Méthylphényl)sulfonyl]-L-phénylalaninate de 7-méthyl-4-oxo-1,2,3,4-tétrahydrocyclopenta[c]chromén-9-yle [French] [ACD/IUPAC Name]
(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
(S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate
1173666-89-1 [RN]
AC1LXILF

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

ZINC02149255 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 735.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.3±3.0 kJ/mol
    Flash Point: 398.6±35.7 °C
    Index of Refraction: 1.661
    Molar Refractivity: 138.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.32
    ACD/LogD (pH 5.5): 5.75
    ACD/BCF (pH 5.5): 13832.47
    ACD/KOC (pH 5.5): 32030.33
    ACD/LogD (pH 7.4): 5.73
    ACD/BCF (pH 7.4): 13144.39
    ACD/KOC (pH 7.4): 30437.03
    Polar Surface Area: 107 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 64.6±5.0 dyne/cm
    Molar Volume: 374.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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