3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose

1-(2-chloroethyl)-1-nitroso-3-[(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]urea

Also Known As: KCNU|CNUG|NSC 319735D|NSC-319735D|D-Glucose, 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-|3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose|1-(2-Chloroethyl)-3-(D-glucos-3-yl)-1-nitrosourea|Urea, 1-(2-chloroethyl)-3-(D-glucopyranos-3-yl)-1-nitroso-|1-(2-chloroethyl)-1-nitroso-3-[(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]urea|3-[[[(2-Chloroethyl)nitrosoamino]carbonyl]amino]-3-deoxy-D-glucose|D-Glucose, 3-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-3-deoxy-|1-(2-chloroethyl)-1-nitroso-3-((2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl)urea|3-({[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}amino)-3-deoxy-D-glucose|3-({[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}amino)-3-deoxyhexose

Molecular Formula	C9H16ClN3O7
Molecular Weight	313.0677 g/mol
LogP	-2.6
Topological Polar Surface Area	160.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	313.0677
Monoisotopic Mass	313.0677
Heavy Atoms	20
Complexity	333.0

Chemical Identifiers

CAS Number	73237-82-8
SMILES	C(CCl)N(C(=O)N[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O)N=O
InChIKey	IMJRVRXAQMLTQC-LXGUWJNJSA-N