Paulomycin D
[CAS# 101411-67-0]

Identification

• Name: Paulomycin D
• Synonyms: 5-[4-[5-(1-Acetoxyethyl)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-(Acetoxymethyl)-3-Hydroxy-5-[(Z)-2-Isothiocyanatobut-2-Enoyl]Oxy-Tetrahydropyran-2-Yl]-2-Amino-5-Hydroxy-3,6-Dioxo-Cyclohexene-1-Carboxylic Acid; 5-[4-[[5-(1-Acetoxyethyl)-5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-(Acetoxymethyl)-3-Hydroxy-5-[(Z)-2-Isothiocyanato-1-Oxobut-2-Enoxy]-2-Tetrahydropyranyl]-2-Amino-5-Hydroxy-3,6-Dioxo-1-Cyclohexenecarboxylic Acid; 5-[4-[5-(1-Acetoxyethyl)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-(Acetoxymethyl)-3-Hydroxy-5-[(Z)-2-Isothiocyanatobut-2-Enoyl]Oxy-Tetrahydropyran-2-Yl]-2-Amino-5-Hydroxy-3,6-Diketo-Cyclohexene-1-Carboxylic Acid
• Molecular Formula: C₃₁H₄₀N₂O₁₇S
• Molecular Weight: 744.72
• CAS Registry Number: 101411-67-0
• SMILES: S=C=NC(/C(OC2C(OC1OC(C(O)(C(OC)C1)C(OC(=O)C)C)C)C(O)C(OC2COC(=O)C)C3(O)C(=O)C(=C(N)C(=O)C3)C(=O)O)=O)=C\C
• InChI: 1S/C31H40N2O17S/c1-7-16(33-11-51)29(41)50-24-18(10-45-14(4)34)48-27(30(42)9-17(36)22(32)21(26(30)38)28(39)40)23(37)25(24)49-20-8-19(44-6)31(43,13(3)47-20)12(2)46-15(5)35/h7,12-13,18-20,23-25,27,37,42-43H,8-10,32H2,1-6H3,(H,39,40)/b16-7-
• InChIKey: QGUOEWOTWMAHCV-APSNUPSMSA-N

Properties

• Density: 1.557g/cm³ (Cal.)
• Boiling point: 875.556°C at 760 mmHg (Cal.)
• Flash point: 483.319°C (Cal.)