856193

(−)-Erythromycin hydrate

96%

• Empirical Formula (Hill Notation): C₃₇H₆₇NO₁₃ · xH₂O
• Molecular Weight: 733.93 (anhydrous basis)
• EC Number: 204-040-1
• MDL number: MFCD00149235
• UNSPSC Code: 12352005
• PubChem Substance ID: 24888402
• NACRES: NA.22

Properties

• Assay: 96%
• form: powder
• optical activity: [α]22/D −70°, c = 2 in ethanol
• mp: 138-140 °C (lit.)
• functional group: amine; ester; ether; ketone
• SMILES string: [H]O[H].CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
• InChI: 1S/C37H67NO13.H2O/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;1H2/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1
• InChI key: XGYMKYQKIUWFJD-YZPBMOCRSA-N

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves