Quelamycin
[CAS# 64719-39-7]

Identification

• Name: Quelamycin
• Synonyms: Ferric (7S,9S)-7-[(2S,4R,5R,6R)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-9-(2-Hydroxyacetyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; Ferric (7S,9S)-7-[[(2S,4R,5R,6R)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-9-(2-Hydroxy-1-Oxoethyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; Ferric (7S,9S)-7-[(2S,4R,5R,6R)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Glycoloyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₂₉FeNO₁₁
• Molecular Weight: 599.37
• CAS Registry Number: 64719-39-7
• SMILES: [C@@]3(O)(CC1=C(O)C4=C(C(=C1[C@@H](O[C@H]2O[C@@H]([C@H](O)[C@H](N)C2)C)C3)O)C(=O)C5=C(C4=O)C=CC=C5OC)C(=O)CO.[Fe+3]
• InChI: 1S/C27H29NO11.Fe/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;/q;+3/t10-,13-,15+,17-,22+,27+;/m1./s1
• InChIKey: AESVUZLWRXEGEX-GJPCMZTKSA-N

Properties

• Boiling point: 810.3°C at 760 mmHg (Cal.)
• Flash point: 443.8°C (Cal.)