ChemSpider 2D Image | 3'-Butyl 5'-isopropyl (3S)-2'-amino-1-(2-ethoxy-2-oxoethyl)-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate | C26H32N2O8

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

  • Molecular FormulaC26H32N2O8
  • Average mass500.541 Da
  • Monoisotopic mass500.215851 Da
  • ChemSpider ID22850737

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2'-Amino-1-(2-éthoxy-2-oxoéthyl)-6'-méthyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate de 3'-butyle et de 5'-isopropyle [French] [ACD/IUPAC Name]
3'-Butyl 5'-isopropyl (3S)-2'-amino-1-(2-ethoxy-2-oxoethyl)-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate [ACD/IUPAC Name]
3'-Butyl-5'-isopropyl-(3S)-2'-amino-1-(2-ethoxy-2-oxoethyl)-6'-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-1-(2-ethoxy-2-oxoethyl)-1,2-dihydro-6'-methyl-2-oxo-, 3'-butyl 5'-(1-methylethyl) ester, (3S)- [ACD/Index Name]
(S)-3'-butyl 5'-isopropyl 2'-amino-1-(2-ethoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate
1212348-29-2 [RN]
3-O'-butyl 5-O'-propan-2-yl (3S)-2'-amino-1-(2-ethoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
AC1O7A2F
MolPort-002-582-530
STOCK3S-32463
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 693.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.6±3.0 kJ/mol
    Flash Point: 373.1±31.5 °C
    Index of Refraction: 1.582
    Molar Refractivity: 129.1±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 5.35
    ACD/LogD (pH 5.5): 4.00
    ACD/BCF (pH 5.5): 642.04
    ACD/KOC (pH 5.5): 3557.94
    ACD/LogD (pH 7.4): 4.00
    ACD/BCF (pH 7.4): 642.35
    ACD/KOC (pH 7.4): 3559.62
    Polar Surface Area: 134 Å2
    Polarizability: 51.2±0.5 10-24cm3
    Surface Tension: 55.8±5.0 dyne/cm
    Molar Volume: 386.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement