Adenylyl Dihydrostreptomycin
[CAS# 95327-19-8]

Identification

• Name: Adenylyl Dihydrostreptomycin
• Synonyms: [(2R,3S,4R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; 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
• Molecular Formula: C₃₁H₅₅N₁₂O₁₉P
• Molecular Weight: 930.82
• CAS Registry Number: 95327-19-8
• 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.[C@@H]4(O)[C@H](O)[C@H](OC4[N]6C5=NC=NC(=C5N=C6)N)CO[P](O)(O)=O
• InChI: 1S/C21H41N7O12.C10H14N5O7P/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;11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)
• InChIKey: XBRXZEJTZWTSKA-LYYCMFPXSA-N

Properties

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