Pradimicin S
[CAS# 146446-02-8]

Identification

• Name: Pradimicin S
• Synonyms: D-Alanine, N-[[(5S,6S)-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]-; Pradimicin S; Aids-029757
• Molecular Formula: C₄₁H₄₆N₂O₂₁S
• Molecular Weight: 934.88
• CAS Registry Number: 146446-02-8
• SMILES: [C@H]7([C@@H](O)[C@@H]([C@@H](O)[C@H](O[C@H]1[C@@H](NC)[C@H](O[C@H]([C@@H]1O)O[C@@H]3[C@H](C2=CC5=C(C(=C2C4=C3C=C(C(=C4O)C(N[C@@H](C(O)=O)C)=O)C)O)C(C6=C(C5=O)C(=CC(=C6)OC)O)=O)O)C)O7)[S](=O)(=O)O)CO
• InChI: 1S/C41H46N2O21S/c1-11-6-18-24(31(50)21(11)38(54)43-12(2)39(55)56)23-16(9-17-25(32(23)51)28(47)15-7-14(60-5)8-19(45)22(15)27(17)46)29(48)35(18)63-40-33(52)36(26(42-4)13(3)61-40)64-41-34(53)37(65(57,58)59)30(49)20(10-44)62-41/h6-9,12-13,20,26,29-30,33-37,40-42,44-45,48-53H,10H2,1-5H3,(H,43,54)(H,55,56)(H,57,58,59)/t12-,13-,20-,26+,29+,30-,33-,34-,35+,36+,37+,40+,41+/m1/s1
• InChIKey: LZPMUWGDCHKFSW-BFYQUHCHSA-N

Properties

• Density: 1.763g/cm³ (Cal.)