Paulomycin
[CAS# 59794-18-2]

Identification

• Name: Paulomycin
• Synonyms: 5-[(3R,4S,5R,6R)-6-(Acetoxymethyl)-3-Hydroxy-4-[(2R,4R,5S,6R)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5-[(Z)-2-Isothiocyanatobut-2-Enoyl]Oxy-Tetrahydropyran-2-Yl]-2-Amino-5-Hydroxy-3,6-Dioxo-Cyclohexene-1-Carboxylic Acid; 5-[(3R,4S,5R,6R)-6-(Acetoxymethyl)-3-Hydroxy-4-[[(2R,4R,5S,6R)-5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-5-[(Z)-2-Isothiocyanato-1-Oxobut-2-Enoxy]-2-Tetrahydropyranyl]-2-Amino-5-Hydroxy-3,6-Dioxo-1-Cyclohexenecarboxylic Acid; 5-[(3R,4S,5R,6R)-6-(Acetoxymethyl)-3-Hydroxy-4-[(2R,4R,5S,6R)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5-[(Z)-2-Isothiocyanatobut-2-Enoyl]Oxy-Tetrahydropyran-2-Yl]-2-Amino-5-Hydroxy-3,6-Diketo-Cyclohexene-1-Carboxylic Acid
• Molecular Formula: C₂₇H₃₄N₂O₁₅S
• Molecular Weight: 658.63
• CAS Registry Number: 59794-18-2
• SMILES: [C@@H]1(OC)C[C@H](O[C@H](C)[C@@H]1O)O[C@H]2[C@@H](O)C(O[C@H](COC(C)=O)[C@H]2OC(=O)\C(=C\C)N=C=S)C3(O)CC(=O)C(=C(C(O)=O)C3=O)N
• InChI: 1S/C27H34N2O15S/c1-5-12(29-9-45)26(37)44-21-15(8-40-11(3)30)42-24(27(38)7-13(31)18(28)17(23(27)34)25(35)36)20(33)22(21)43-16-6-14(39-4)19(32)10(2)41-16/h5,10,14-16,19-22,24,32-33,38H,6-8,28H2,1-4H3,(H,35,36)/b12-5-/t10-,14-,15-,16-,19+,20-,21-,22+,24?,27?/m1/s1
• InChIKey: HYYDZRXDSYTIEH-MQTRCCAJSA-N

Properties

• Density: 1.618g/cm³ (Cal.)
• Boiling point: 847.461°C at 760 mmHg (Cal.)
• Flash point: 466.328°C (Cal.)