Pradimicin FS
[CAS# 146446-03-9]

Identification

• Name: Pradimicin FS
• Synonyms: Aids029756; D-Serine, N-[[5-[[4,6-Dideoxy-4-(Methylamino)-3-O-(3-O-Sulfo-.Beta.-D-Glucopyranosyl)-.Beta.-D-Galactopyranosyl]Oxy]-5,6,8,13-Tetrahydro-1,6,9,14-Tetrahydroxy-11-Methoxy-3-Methyl-8,13-Dioxobenzo[A]Naphthacen-2-Yl]Carbonyl]-, (5S-Trans)-; Pradimicin Fs
• Molecular Formula: C₄₁H₄₆N₂O₂₂S
• Molecular Weight: 950.87
• CAS Registry Number: 146446-03-9
• SMILES: [C@H]1([C@@H](O)[C@@H]([C@@H](O)[C@@H](O1)O[C@H]2[C@@H](NC)[C@H](O[C@H]([C@@H]2O)O[C@@H]4[C@H](C3=CC6=C(C(=C3C5=C4C=C(C(=C5O)C(N[C@@H](C(O)=O)CO)=O)C)O)C(C7=C(C6=O)C(=CC(=C7)OC)O)=O)O)C)[S](=O)(=O)O)CO
• InChI: 1S/C41H46N2O22S/c1-11-5-17-24(31(51)21(11)38(55)43-18(9-44)39(56)57)23-15(8-16-25(32(23)52)28(48)14-6-13(61-4)7-19(46)22(14)27(16)47)29(49)35(17)64-40-33(53)36(26(42-3)12(2)62-40)65-41-34(54)37(66(58,59)60)30(50)20(10-45)63-41/h5-8,12,18,20,26,29-30,33-37,40-42,44-46,49-54H,9-10H2,1-4H3,(H,43,55)(H,56,57)(H,58,59,60)/t12-,18-,20-,26+,29+,30-,33-,34-,35+,36+,37+,40+,41+/m1/s1
• InChIKey: MQZAUPZFCCVIFR-GVIWZBKTSA-N

Properties

• Density: 1.803g/cm³ (Cal.)