Erythromycin A Dihydrate
[CAS# 59319-72-1]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Ion chromatography reagent
• Name: Erythromycin A Dihydrate
• Synonyms: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Ethyl-7,12,13-Trihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione Dihydrate; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Ethyl-7,12,13-Trihydroxy-4-[[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione Dihydrate; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Ethyl-7,12,13-Trihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Quinone Dihydrate
• Molecular Formula: C₃₇H₇₁NO₁₅
• Molecular Weight: 769.97
• CAS Registry Number: 59319-72-1
• SMILES: [C@@H]3(O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1O)C)[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@](OC)(C2)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C[C@]3(O)C)C)C)C)CC)=O)C)C.O.O
• InChI: 1S/C37H67NO13.2H2O/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;;/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2*1H2/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;;/m1../s1
• InChIKey: IWGQNYZQLVGGCS-INORWZNNSA-N

Properties

• Boiling point: 818.4°C at 760 mmHg (Cal.)
• Flash point: 448.8°C (Cal.)