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1-(2,3,4,6-Tetra-O-acetylhexopyranosyl)indoline

  • Name 1-(2,3,4,6-Tetra-O-acetylhexopyranosyl)indoline
  • EINECSN/A
  • CAS No. 22855-03-4
  • Density1.31 g/cm3
  • PSA117.67000
  • LogP1.19720
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC22H27NO9
  • Boiling Point537.4 °C at 760 mmHg
  • Molecular Weight449.458
  • Flash Point278.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 22855-03-4 (2,3-Dihydro-1-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-1H-indole)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data11

1-(2,3,4,6-Tetra-O-acetylhexopyranosyl)indoline Specification

The 1-(2,3,4,6-Tetra-O-acetylhexopyranosyl)indoline is an organic compound with the formula C22H27NO9. The IUPAC name of this chemical is [3,4,5-triacetyloxy-6-(2,3-dihydroindol-1-yl)oxan-2-yl]methyl acetate. With the CAS registry number 22855-03-4, it is also named as 1H-indole, 2,3-dihydro-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-.

Physical properties about 1-(2,3,4,6-Tetra-O-acetylhexopyranosyl)indoline are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#Freely Rotating Bonds: 10; (5)Polar Surface Area: 117.67 Å2; (6)Index of Refraction: 1.556; (7)Molar Refractivity: 109.69 cm3; (8)Molar Volume: 340.8 cm3; (9)Polarizability: 43.48×10-24cm3; (10)Surface Tension: 53.6 dyne/cm; (11)Density: 1.31 g/cm3; (12)Flash Point: 278.8 °C; (13)Enthalpy of Vaporization: 81.43 kJ/mol; (14)Boiling Point: 537.4 °C at 760 mmHg; (15)Vapour Pressure: 1.28E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC3OC(N2c1ccccc1CC2)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C
(2)InChI: InChI=1/C22H27NO9/c1-12(24)28-11-18-19(29-13(2)25)20(30-14(3)26)21(31-15(4)27)22(32-18)23-10-9-16-7-5-6-8-17(16)23/h5-8,18-22H,9-11H2,1-4H3
(3)InChIKey: RTRYJIOTUZUULJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C22H27NO9/c1-12(24)28-11-18-19(29-13(2)25)20(30-14(3)26)21(31-15(4)27)22(32-18)23-10-9-16-7-5-6-8-17(16)23/h5-8,18-22H,9-11H2,1-4H3
(5)Std. InChIKey: RTRYJIOTUZUULJ-UHFFFAOYSA-N

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