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

Catalog	DGS115431248
CAS	115431-24-8
Structure
Synonyms	β-D-Glucopyranoside, heptyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
IUPAC Name	[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-heptoxyoxan-2-yl]methyl acetate
Molecular Weight	445.5
Molecular Formula	C21H35NO9
InChI	InChI=1S/C21H35NO9/c1-6-7-8-9-10-11-27-21-18(22-13(2)23)20(30-16(5)26)19(29-15(4)25)17(31-21)12-28-14(3)24/h17-21H,6-12H2,1-5H3,(H,22,23)/t17-,18-,19-,20-,21-/m1/s1
InChI Key	RBCLSYRDYAVQGI-PFAUGDHASA-N
Purity	≥95%
Complexity	610
Exact Mass	445.23118169
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCO[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	MFCD08703743
Monoisotopic Mass	445.23118169
Rotatable Bond Count	15
Topological Polar Surface Area	127 Ų
XLogP3-AA	2