Octyl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside

Catalog	DGS38954675
CAS	38954-67-5
Structure
Synonyms	1-O-Octyl-β-D-glucopyranoside2,3,4,6-tetraacetate
IUPAC Name	[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-octoxyoxan-2-yl]methyl acetate
Molecular Weight	460.52
Molecular Formula	C22H36O10
InChI	InChI=1S/C22H36O10/c1-6-7-8-9-10-11-12-27-22-21(31-17(5)26)20(30-16(4)25)19(29-15(3)24)18(32-22)13-28-14(2)23/h18-22H,6-13H2,1-5H3/t18-,19-,20+,21-,22-/m1/s1
InChI Key	RNGLREVZONTJLS-QMCAAQAGSA-N
Boiling Point	498.4±45.0 °C (Predicted)
Melting Point	50-52 °C (dec.) (lit.)
Purity	≥95%
Density	1.15±0.1 g/cm³ (Predicted)
Appearance	White to off-white solid
Complexity	620
EC Number	609-601-8
Exact Mass	460.23084734
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
MDL Number	MFCD00192368
Monoisotopic Mass	460.23084734
Rotatable Bond Count	17
Topological Polar Surface Area	124 Ų