O-Demethylpuromycin
[CAS# 21708-87-2]

Identification

• Name: O-Demethylpuromycin
• Synonyms: (2S)-2-Amino-N-[(2S,3S,4R,5R)-5-(6-Dimethylaminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-Amino-N-[(2S,3S,4R,5R)-5-(6-Dimethylamino-9-Purinyl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl]-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-Amino-N-[(2S,3S,4R,5R)-5-(6-Dimethylaminopurin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl]-3-(4-Hydroxyphenyl)Propionamide
• Molecular Formula: C₂₁H₂₇N₇O₅
• Molecular Weight: 457.49
• CAS Registry Number: 21708-87-2
• SMILES: [C@H]2(NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](O)[C@@H](O[C@@H]2CO)[N]3C4=C(N=C3)C(=NC=N4)N(C)C
• InChI: 1S/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)/t13-,14+,15+,17+,21+/m0/s1
• InChIKey: NVZJDPXVSWFFJJ-YXDKPKCJSA-N

Properties

• Density: 1.592g/cm³ (Cal.)