streptomycin structure

streptomycin

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

CAS: 57-92-1
Molecular Formula C21H39N7O12
Molecular Weight 581.6 g/mol
LogP -8.0
Topological Polar Surface Area 336.0 A2
Hydrogen Bond Donors 12
Hydrogen Bond Acceptors 15
Rotatable Bonds 9
Exact Mass 581.2657
Heavy Atoms 40
Complexity 940.0

Chemical Identifiers

CAS Number 57-92-1
SMILES CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O
InChIKey UCSJYZPVAKXKNQ-HZYVHMACSA-N

📖 Product Overview

streptomycin (CAS: 57-92-1) is a chemical compound with molecular formula C21H39N7O12 and molecular weight 581.6 g/mol. Its IUPAC systematic name is 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine. LogP -8.0 Topological Polar Surface Area 336.0 A2 Hydrogen Bond Donors 12 Hydrogen Bond Acceptors 15 Rotatable Bonds 9 Exact Mass 581.2657 Heavy Atoms 40 Complexity 940.0 InChI Key: UCSJYZPVAKXKNQ-HZYVHMACSA-N. SMILES: CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.

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