7-O-(3-Amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone hydrochloride
[CAS# 124264-70-6]

Identification

• Name: 7-O-(3-Amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone hydrochloride
• Synonyms: (7S,9R,10R)-9-Acetyl-7-[(2R,3R,4R,5S,6S)-4-Amino-3-Fluoro-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,10,11-Tetrahydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9R,10R)-9-Acetyl-7-[[(2R,3R,4R,5S,6S)-4-Amino-3-Fluoro-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,10,11-Tetrahydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9R,10R)-9-Acetyl-7-[(2R,3R,4R,5S,6S)-4-Amino-3-Fluoro-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,10,11-Tetrahydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone Hydrochloride
• Molecular Formula: C₂₇H₂₉ClFNO₁₁
• Molecular Weight: 597.98
• CAS Registry Number: 124264-70-6
• SMILES: [C@]2(O)(C[C@H](O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)[C@H]1F)C)C3=C([C@H]2O)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)C(=O)C.[H+].[Cl-]
• InChI: 1S/C27H28FNO11.ClH/c1-8-20(31)19(29)18(28)26(39-8)40-12-7-27(37,9(2)30)25(36)17-14(12)23(34)16-15(24(17)35)21(32)10-5-4-6-11(38-3)13(10)22(16)33;/h4-6,8,12,18-20,25-26,31,34-37H,7,29H2,1-3H3;1H/t8-,12-,18+,19-,20+,25+,26-,27-;/m0./s1
• InChIKey: SKWPUTGKNWRBGJ-KYJWTKNXSA-N

Properties

• Boiling point: 745°C at 760 mmHg (Cal.)
• Flash point: 404.4°C (Cal.)