Octadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside

Catalog	DGS135198093
CAS	135198-09-3
Structure
Synonyms	β-D-Glucopyranoside, octadecyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
IUPAC Name	[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-octadecoxyoxan-2-yl]methyl acetate
Molecular Weight	599.8
Molecular Formula	C32H57NO9
InChI	InChI=1S/C32H57NO9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-38-32-29(33-24(2)34)31(41-27(5)37)30(40-26(4)36)28(42-32)23-39-25(3)35/h28-32H,6-23H2,1-5H3,(H,33,34)/t28-,29-,30-,31-,32-/m1/s1
InChI Key	OVJOCMMUDZDWMP-NYDDOVQGSA-N
Purity	≥95%
Complexity	775
Exact Mass	599.40333240
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
MDL Number	MFCD08703874
Monoisotopic Mass	599.40333240
Rotatable Bond Count	26
Topological Polar Surface Area	127 Ų
XLogP3-AA	8