dihydro-Streptomycin 4-aminosalicylate (1:3) (salt)
[CAS# 3144-30-7]

Identification

• Name: dihydro-Streptomycin 4-aminosalicylate (1:3) (salt)
• Synonyms: 4-Amino-2-Hydroxy-Benzoic Acid; 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-4-(Hydroxymethyl)-5-Methyl-Tetrahydrofuran-2-Yl]Oxy-5-Guanidino-3,4,6-Trihydroxy-Cyclohexyl]Guanidine; 4-Amino-2-Hydroxybenzoic Acid; 2-[(1S,2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-4-(Hydroxymethyl)-5-Methyl-2-Tetrahydrofuranyl]Oxy]-5-Guanidino-3,4,6-Trihydroxycyclohexyl]Guanidine; 4-Amino-2-Hydroxy-Benzoic Acid; 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-3-Methylamino-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-5-Methyl-4-Methylol-Tetrahydrofuran-2-Yl]Oxy-5-Guanidino-3,4,6-Trihydroxy-Cyclohexyl]Guanidine
• Molecular Formula: C₄₂H₆₂N₁₀O₂₁
• Molecular Weight: 1043.01
• CAS Registry Number: 3144-30-7
• SMILES: [C@@]3(O)([C@@H](O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1NC)CO)[C@H](O[C@@H]2[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]2O)O[C@H]3C)CO.C4=C(N)C=CC(=C4O)C(O)=O.C5=C(N)C=CC(=C5O)C(O)=O.O=C(O)C6=C(O)C=C(N)C=C6
• InChI: 1S/C21H41N7O12.3C7H7NO3/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*8-4-1-2-5(7(10)11)6(9)3-4/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*1-3,9H,8H2,(H,10,11)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m0.../s1
• InChIKey: DNLLNJSYYNNFBC-CZDSEFAFSA-N

Properties

• Boiling point: 954.5°C at 760 mmHg (Cal.)
• Flash point: 531.1°C (Cal.)