Racemomycin B sulfate hydrate (2:5:10)

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

Also Known As: Racemomycin B sulfate hydrate (2:5:10)|Racemomycin B, sulfate (salt), hydrate (2:5:10)|C31H58N12O10.5/2H2SO4.5H2O|C31-H58-N12-O10.5/2H2-S-O4.5H2-O|[(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-oxo-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate; sulfuric acid

Molecular Formula	C62H126N24O40S5
Molecular Weight	2006.7167 g/mol
LogP	-16.3196
Topological Polar Surface Area	1170.0 Ų
Hydrogen Bond Donors	38
Hydrogen Bond Acceptors	54
Rotatable Bonds	46
Exact Mass	2006.7167
Monoisotopic Mass	2006.7167
Heavy Atoms	131
Complexity	1330.0

Chemical Identifiers

CAS Number	11098-75-2
SMILES	C1=NC(=O)[C@H]2[C@H]([C@@H]1O)N[C@H](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.C1=NC(=O)[C@H]2[C@H]([C@@H]1O)N[C@H](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.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
InChIKey	KQFZJXBLEJMXSP-NGNMQSJZSA-N