ChemSpider 2D Image | 5'-Ethyl 3'-methyl (3S)-2'-amino-6'-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate | C22H24N2O8

5'-Ethyl 3'-methyl (3S)-2'-amino-6'-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

  • Molecular FormulaC22H24N2O8
  • Average mass444.435 Da
  • Monoisotopic mass444.153259 Da
  • ChemSpider ID22850754

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2'-Amino-6'-(2-éthoxy-2-oxoéthyl)-1-méthyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate de 5'-éthyle et de 3'-méthyle [French] [ACD/IUPAC Name]
5'-Ethyl 3'-methyl (3S)-2'-amino-6'-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate [ACD/IUPAC Name]
5'-Ethyl-3'-methyl-(3S)-2'-amino-6'-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylat [German] [ACD/IUPAC Name]
Spiro[3H-indole-3,4'-[4H]pyran]-3',5'-dicarboxylic acid, 2'-amino-6'-(2-ethoxy-2-oxoethyl)-1,2-dihydro-1-methyl-2-oxo-, 5'-ethyl 3'-methyl ester, (3S)- [ACD/Index Name]
(S)-5'-ethyl 3'-methyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate
1212086-94-6 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 671.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 98.6±3.0 kJ/mol
    Flash Point: 359.7±31.5 °C
    Index of Refraction: 1.604
    Molar Refractivity: 110.6±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.60
    ACD/LogD (pH 5.5): 2.51
    ACD/BCF (pH 5.5): 47.81
    ACD/KOC (pH 5.5): 554.41
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 47.82
    ACD/KOC (pH 7.4): 554.46
    Polar Surface Area: 134 Å2
    Polarizability: 43.8±0.5 10-24cm3
    Surface Tension: 60.8±5.0 dyne/cm
    Molar Volume: 321.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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