Streptomycin 3''-phosphate

[(2S,3S,4S,5S,6S)-2-[(2R,3R,4R,5S)-2-[(1R,2S,3R,4R,5S,6R)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-4-yl] dihydrogen phosphate

Also Known As: Streptomycin 3''-phosphate|O-3-PHOSPHORYLATE|3''-Phosphoryldihydrostreptomycin|Dihydrostreptomycin 3''-phosphate|Streptomycin 3 -phosphate|streptomycin 3''-(dihydrogen phosphate)|J2.745.225F|[(2S,3S,4S,5S,6S)-2-[(2R,3R,4R,5S)-2-[(1R,2S,3R,4R,5S,6R)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-4-yl] dihydrogen phosphate|[2-deoxy-2-(methylamino)-3-O-phosphono-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}|{[(2S,3S,4S,5S,6S)-2-{[(2R,3R,4R,5S)-2-{[(1R,2S,3R,4R,5S,6R)-2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-4-yl]oxy}phosphonic acid|4-O-[2-O-[3-O-Phosphono-2-(methylamino)-2-deoxy-alpha-L-glucopyranosyl]-5-deoxy-3-formyl-alpha-L-lyxofuranosyl]-N,N -bis(aminoiminomethyl)-D-streptamine|D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-3-O-PHOSPHONO-.ALPHA.-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-(HYDROXYMETHYL)-.ALPHA.-L-LYXOFURANOSYL-(1->4)-N,N'-BIS(AMINOIMINOMETHYL)-

Molecular Formula	C21H40N7O15P
Molecular Weight	661.232 g/mol
LogP	-11.4
Topological Polar Surface Area	383.0 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	18
Rotatable Bonds	11
Exact Mass	661.232
Monoisotopic Mass	661.232
Heavy Atoms	44
Complexity	1110.0

Chemical Identifiers

CAS Number	33419-36-2
SMILES	C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)OP(=O)(O)O)NC)(C=O)O
InChIKey	BFUAJTIVTIKBSB-GOUKQLAUSA-N