Chitobiose octaacetate

Catalog Number	ACM41670999
CAS	41670-99-9
Structure
Synonyms	N,N'-Diacetylchitobiose hexaacetate
IUPAC Name	[(2R,3S,4R,5R)-5-Acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxyoxan-2-yl]methyl acetate
Molecular Weight	676.6
Molecular Formula	C28H40N2O17
Canonical SMILES	CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C28H40N2O17/c1-11(31)29-21-26(43-17(7)37)24(20(10-40-14(4)34)45-27(21)44-18(8)38)47-28-22(30-12(2)32)25(42-16(6)36)23(41-15(5)35)19(46-28)9-39-13(3)33/h19-28H,9-10H2,1-8H3,(H,29,31)(H,30,32)/t19-,20-,21-,22-,23-,24-,25-,26-,27,28+/m1/s1
InChI Key	JUYKRZRMNHWQCD-NCBZWLQXSA-N
Melting Point	304-405 °C
Purity	96%+
Appearance	White Crystalline Solid
Complexity	1210
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Exact Mass	676.23269781
Heavy Atom Count	47
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
Monoisotopic Mass	676.23269781
Physical State	White solid
Storage Conditions	-20 °C
Topological Polar Surface Area	244 Ų