Dihydrostreptomycin 6-phosphate

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

Also Known As: Dihydrostreptomycin 6-phosphate|L-Alanine,N-glycyl-2-methyl|J2.442.993H|[(1S,2R,3S,4S,5R,6S)-2,4-bis(diaminomethylideneamino)-5-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,6-dihydroxycyclohexyl] dihydrogen phosphate|((1S,2R,3S,4S,5R,6S)-2,4-bis(diaminomethylideneamino)-5-((2R,3R,4R,5S)-3-((2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl)oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy-3,6-dihydroxycyclohexyl) dihydrogen phosphate|(1S,2R,3S,4S,5R,6S)-2,4-bis(carbamimidamido)-5-(5-deoxy-2-O-(2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl)-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyloxy)-3,6-dihydroxycyclohexyl dihydrogen phosphate|(1S,2R,3S,4S,5R,6S)-2,4-bis(carbamimidamido)-5-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyloxy}-3,6-dihydroxycyclohexyl dihydrogen phosphate|(1S,2R,3S,4S,5R,6S)-2,4-Bis(carbamimidoylamino)-5-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-3,6-dihydroxycyclohexyl dihydrogen phosphate|{[(1S,2R,3S,4S,5R,6S)-2,4-dicarbamimidamido-5-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy}-3,6-dihydroxycyclohexyl]oxy}phosphonic acid|2,4-Dicarbamimidamido-5-({5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-3,6-dihydroxycyclohexyl dihydrogen phosphate|4-O-[2-O-[2-(Methylamino)-2-deoxy-alpha-L-glucopyranosyl]-5-deoxy-3-hydroxymethyl-alpha-L-lyxofuranosyl]-N,N -bis(aminoiminomethyl)-D-streptamine 6-phosphate|D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, 6-(dihydrogen phosphate)|O-2-Deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-D-streptamine, 6-(dihydrogen phosphate)|O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-D-streptamine-6-(dihydrogen phosphate)|O-2-deoxy-2--(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-D-streptamine, 6-(dihydrogen phosphate)

Molecular Formula	C21H42N7O15P
Molecular Weight	663.2477 g/mol
LogP	-11.6
Topological Polar Surface Area	386.0 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	18
Rotatable Bonds	11
Exact Mass	663.2477
Monoisotopic Mass	663.2477
Heavy Atoms	44
Complexity	1080.0

Chemical Identifiers

CAS Number	33014-54-9
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)OP(=O)(O)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)O)NC)(CO)O
InChIKey	DCRWHJGCOKPJBN-TWBNDLJKSA-N