Tetraacetylglucosamine mustard

[(3S,5R)-3,4,6-triacetyloxy-5-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate

Also Known As: Tetraacetylglucosamine mustard|D-Glucopyranose,1,3,4,6-tetracetate|4-18-00-07550 (Beilstein Handbook Reference)|1,3,4,6-Tetra-O-acetyl-2-(di-2-chloroethyl)amino-2-deoxy-D-glucopyranose|2-Deoxy-2-(di-2-chloroethyl)amino-1,3,4,6-tetraacetoxy-D-glucopyranose|[3,4,6-triacetyloxy-5-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate|Glucopyranose, 2-deoxy-2-(di-2-chloroethyl)amino-1,3,4,6-tetraacetoxy-, D-|[(3R,5S)-2,5-Diacetyloxy-6-(acetyloxymethyl)-3-[bis(2-chloroethyl)amino]oxan-4-yl]acetate|[(3S,5R)-3,4,6-triacetyloxy-5-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate|D-Glucopyranose, 2-[bis(2-chloroethyl)amino]-2-deoxy-, 1,3,4,6-tetraacetate

Molecular Formula	C18H27Cl2NO9
Molecular Weight	471.1063 g/mol
LogP	0.85
Topological Polar Surface Area	117.67 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	471.1063
Heavy Atoms	30
Complexity	612.5

Chemical Identifiers

CAS Number	56879-48-2
SMILES	CC(=O)OCC1[C@H](C([C@H](C(O1)OC(=O)C)N(CCCl)CCCl)OC(=O)C)OC(=O)C