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

Catalog	DGS211567225
CAS	211567-22-5
Structure
Synonyms	(2R,3S,4R,5R,6R)-5-acetamido-2-(acetoxymethyl)-6-(dodecyloxy)tetrahydro-2H-pyran-3,4-diyl diacetate
IUPAC Name	[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-dodecoxyoxan-2-yl]methyl acetate
Molecular Weight	515.64
Molecular Formula	C26H45NO9
InChI	InChI=1S/C26H45NO9/c1-6-7-8-9-10-11-12-13-14-15-16-32-26-23(27-18(2)28)25(35-21(5)31)24(34-20(4)30)22(36-26)17-33-19(3)29/h22-26H,6-17H2,1-5H3,(H,27,28)/t22-,23-,24-,25-,26-/m1/s1
InChI Key	PIEYYMFAQMSYFF-ZFXZZAOISA-N
Boiling Point	616.7±55.0 °C (Predicted)
Purity	≥95%
Density	1.11±0.1 g/cm³ (Predicted)
Complexity	684
Exact Mass	515.30943201
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCO[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	MFCD08704102
Monoisotopic Mass	515.30943201
pKa	13.61±0.70 (Predicted)
Rotatable Bond Count	20
Topological Polar Surface Area	127 Ų
XLogP3-AA	4.7