(1S,3S)-3-Acetyl-11-Amino-1-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-3,6-Dihydroxy-10-Methoxy-2,4-Dihydro-1H-Tetracene-5,12-Dione Hydrochloride
[CAS# 72983-78-9]

Identification

• Name: (1S,3S)-3-Acetyl-11-Amino-1-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-3,6-Dihydroxy-10-Methoxy-2,4-Dihydro-1H-Tetracene-5,12-Dione Hydrochloride
• Synonyms: (1S,3S)-3-Acetyl-11-Amino-1-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3,6-Dihydroxy-10-Methoxy-2,4-Dihydro-1H-Tetracene-5,12-Dione Hydrochloride; (1S,3S)-3-Acetyl-11-Amino-1-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-3,6-Dihydroxy-10-Methoxy-2,4-Dihydro-1H-Tetracene-5,12-Dione Hydrochloride; (1S,3S)-3-Acetyl-11-Amino-1-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3,6-Dihydroxy-10-Methoxy-2,4-Dihydro-1H-Tetracene-5,12-Quinone Hydrochloride
• Molecular Formula: C₂₇H₃₁ClN₂O₉
• Molecular Weight: 563.00
• CAS Registry Number: 72983-78-9
• SMILES: [C@H]2(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)C[C@@](O)(CC4=C2C(=O)C3=C(N)C5=C(C(=C3C4=O)O)C=CC=C5OC)C(=O)C.[H+].[Cl-]
• InChI: 1S/C27H30N2O9.ClH/c1-10-23(31)14(28)7-17(37-10)38-16-9-27(35,11(2)30)8-13-19(16)26(34)20-21(25(13)33)24(32)12-5-4-6-15(36-3)18(12)22(20)29;/h4-6,10,14,16-17,23,31-32,35H,7-9,28-29H2,1-3H3;1H/t10-,14-,16-,17-,23+,27-;/m0./s1
• InChIKey: IZWBXSKYUANOJC-KOFUDPRISA-N

Properties

• Boiling point: 864.9°C at 760 mmHg (Cal.)
• Flash point: 476.9°C (Cal.)