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

Catalog	DGS135198048
CAS	135198-04-8
Structure
Synonyms	[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-decoxyoxan-2-yl]methyl acetate
IUPAC Name	[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-decoxyoxan-2-yl]methyl acetate
Molecular Weight	487.58
Molecular Formula	C24H41NO9
InChI	InChI=1S/C24H41NO9/c1-6-7-8-9-10-11-12-13-14-30-24-21(25-16(2)26)23(33-19(5)29)22(32-18(4)28)20(34-24)15-31-17(3)27/h20-24H,6-15H2,1-5H3,(H,25,26)/t20-,21-,22-,23-,24-/m1/s1
InChI Key	RVOHFQLIULTWCK-MRKXFKPJSA-N
Boiling Point	596.5±50.0 °C (Predicted)
Purity	≥95%
Density	1.12±0.1 g/cm³ (Predicted)
Complexity	654
Exact Mass	487.27813189
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCO[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	MFCD08704066
Monoisotopic Mass	487.27813189
pKa	13.61±0.70 (Predicted)
Rotatable Bond Count	18
Topological Polar Surface Area	127 Ų
XLogP3-AA	3.6