Racemomycin B sulfate

[(2R,3R,4S,5R,6R)-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl] carbamate;sulfuric acid

Also Known As: Racemomycin B sulfate|Streptothricin D sulfate|4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-(3-amino-6-(3-amino-6-(3,6-diaminohexanamido)hexanamido)hexanamido)-2-deoxy-beta-D-gulopyranosyl)amino)-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, 6'-carbamate, sulfate|[(2R,3R,4S,5R,6R)-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl] carbamate; sulfuric acid

Molecular Formula	C31H60N12O14S
Molecular Weight	856.4073 g/mol
LogP	-7.179
Topological Polar Surface Area	462.0 Ų
Hydrogen Bond Donors	16
Hydrogen Bond Acceptors	19
Rotatable Bonds	23
Exact Mass	856.4073
Monoisotopic Mass	856.4073
Heavy Atoms	58
Complexity	1350.0

Chemical Identifiers

CAS Number	11076-96-3
SMILES	C1C(C2C(C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N)O.OS(=O)(=O)O
InChIKey	VLRZNBMECLLIGJ-YOCXTQSFSA-N