Erythromycinstinoprate
[CAS# 84252-03-9]

Identification

• Name: Erythromycinstinoprate
• Synonyms: (2R)-2-Acetamido-3-Sulfanyl-Propanoic Acid; [(2S,3R,4S,6R)-4-Dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-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-2,10-Dioxo-1-Oxacyclotetradec-6-Yl]Oxy]-6-Methyl-Tetrahydropyran-3-Yl] Propanoate; (2R)-2-Acetamido-3-Mercaptopropanoic Acid; Propanoic Acid [(2S,3R,4S,6R)-4-Dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-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-2,10-Dioxo-1-Oxacyclotetradec-6-Yl]Oxy]-6-Methyl-3-Tetrahydropyranyl] Ester; (2R)-2-Acetamido-3-Mercapto-Propionic Acid; Propionic Acid [(2S,3R,4S,6R)-4-Dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-Ethyl-7,12,13-Trihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-2,10-Diketo-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradec-6-Yl]Oxy]-6-Methyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₄₅H₈₀N₂O₁₇S
• Molecular Weight: 953.19
• CAS Registry Number: 84252-03-9
• SMILES: [C@@H]3(O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1OC(=O)CC)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.[C@@H](NC(=O)C)(C(=O)O)CS
• InChI: 1S/C40H71NO14.C5H9NO3S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-3(7)6-4(2-10)5(8)9/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;4,10H,2H2,1H3,(H,6,7)(H,8,9)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;4-/m10/s1
• InChIKey: HXKNXCFNAJGZCM-PWOIWMLJSA-N

Properties

• Boiling point: 827.7°C at 760 mmHg (Cal.)
• Flash point: 454.4°C (Cal.)