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

Name
2,3-Dihydro-1-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-1H-indole
EINECS
CAS No. 22855-03-4
Article Data11
CAS DataBase
Density 1.31 g/cm³
Solubility
Melting Point
Formula C₂₂H₂₇NO₉
Boiling Point 537.4 °C at 760 mmHg
Molecular Weight 449.458
Flash Point 278.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indoline,1-b-D-glucopyranosyl-,2',3',4',6'-tetraacetate (8CI);Indoline, 1-b-D-glucopyranosyl-, tetraacetate (6CI,7CI);NSC 111568;
PSA 117.67000
LogP 1.19720

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

Product Name

2,3-Dihydro-1-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-1H-indole

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

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