Polyoxin A
[CAS# 19396-03-3]

Identification

• Name: Polyoxin A
• Synonyms: (2S,3Z)-1-[(2S)-2-[[(2S,3S,4S)-2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-Pentanoyl]Amino]-2-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[5-(Hydroxymethyl)-2,4-Dioxo-Pyrimidin-1-Yl]Tetrahydrofuran-2-Yl]Acetyl]-3-Ethylidene-Azetidine-2-Carboxylic Acid; (2S,3Z)-1-[(2S)-2-[[(2S,3S,4S)-2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-1-Oxopentyl]Amino]-2-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[5-(Hydroxymethyl)-2,4-Dioxo-1-Pyrimidinyl]-2-Tetrahydrofuranyl]-1-Oxoethyl]-3-Ethylidene-2-Azetidinecarboxylic Acid; (2S,3Z)-1-[(2S)-2-[[(2S,3S,4S)-2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-Pentanoyl]Amino]-2-[(2R,3S,4R,5R)-5-(2,4-Diketo-5-Methylol-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetyl]-3-Ethylidene-Azetidine-2-Carboxylic Acid
• Molecular Formula: C₂₃H₃₂N₆O₁₄
• Molecular Weight: 616.54
• CAS Registry Number: 19396-03-3
• SMILES: [C@@H]2(O[C@@H](N1C(=O)NC(=O)C(=C1)CO)[C@H](O)[C@@H]2O)[C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(=O)N)C(=O)N3[C@@H](\C(C3)=C/C)C(=O)O
• InChI: 1S/C23H32N6O14/c1-2-7-3-28(12(7)21(38)39)19(37)11(26-18(36)10(24)13(32)9(31)6-42-22(25)40)16-14(33)15(34)20(43-16)29-4-8(5-30)17(35)27-23(29)41/h2,4,9-16,20,30-34H,3,5-6,24H2,1H3,(H2,25,40)(H,26,36)(H,38,39)(H,27,35,41)/b7-2-/t9-,10-,11-,12-,13+,14-,15+,16+,20+/m0/s1
• InChIKey: PQAGMWMKVWTHJU-ATETYRDMSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)