alpha-Butylstreptozotocin

3-[(2S,3R,4R,5S,6R)-2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1-methyl-1-nitrosourea

Also Known As: alpha-Butylstreptozotocin|alpha-Butylstreptzotocin|beta-Butylstreptozotocin|4,4'-Dibrom-2,2'-sulfinyl-di-phenol|alpha-D-Butyl 2-deoxy-2-(3-methyl-3-nitrosoureido)glucopyranoside|Glucopyranoside, butyl 2-deoxy-2-(3-methyl-3-nitrosoureido)-, alpha-D-|alpha-D-Glucopyranoside, butyl 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)-|Butyl 2-deoxy-2-(3-methyl-3-nitrosoureido)-alpha-d-glucopyranoside|butyl 2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-|A-d-glucopyranoside|.alpha.-D-Glucopyranoside, butyl 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-|alpha-D-Glucopyranoside, butyl 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)- (9CI)|alpha-D-Glucopyranoside, butyl 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)-(9CI)|Butyl 2-deoxy-2-({hydroxy[methyl(nitroso)amino]methylidene}amino)-alpha-D-glucopyranoside|Butyl 2-deoxy-2-({hydroxy[methyl(nitroso)amino]methylidene}amino)hexopyranoside|1-[(2S,3R,4R,5S,6R)-2-BUTOXY-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]-3-METHYL-3-NITROSOUREA|3-((2S,3R,4R,5S,6R)-2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)-1-methyl-1-nitrosourea|3-[(2S,3R,4R,5S,6R)-2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1-methyl-1-nitrosourea

Molecular Formula	C12H23N3O7
Molecular Weight	321.1536 g/mol
LogP	0.3
Topological Polar Surface Area	141.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	321.1536
Monoisotopic Mass	321.1536
Heavy Atoms	22
Complexity	371.0

Chemical Identifiers

CAS Number	58418-35-2
SMILES	CCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)N(C)N=O
InChIKey	CRYSPCRGLHJZTE-ILAIQSSSSA-N