N-Acetylmannosaminuronic Acid-N-Acetylglucosamine-Pyrophosphorylundecaprenol
[CAS# 94230-52-1]

Identification

• Name: N-Acetylmannosaminuronic Acid-N-Acetylglucosamine-Pyrophosphorylundecaprenol
• Synonyms: (2S,3S,4R,5S)-5-Acetamido-6-[(2R,3R,4R,5S,6R)-3-Acetamido-5-Hydroxy-2-[Hydroxy-[Hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-Undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-Undecaenoxy]Phosphoryl]Oxy-Phosphory
• Molecular Formula: C₇₁H₁₁₆N₂O₁₈P₂
• Molecular Weight: 1347.65
• CAS Registry Number: 94230-52-1
• SMILES: [C@@H]2(OC1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1NC(=O)C)C(=O)O)[C@@H](NC(=O)C)[C@H](O[C@@H]([C@H]2O)CO)O[P](O[P](OC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)C)C)C)C)C)C)C)(=O)O)(=O)O
• InChI: 1S/C71H116N2O18P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-86-92(82,83)91-93(84,85)90-71-63(73-60(14)76)67(64(77)61(47-74)87-71)88-70-62(72
• InChIKey: OPJIDHDYJAJJJE-XKFGBOGHSA-N

Properties

• Density: 1.185g/cm³ (Cal.)