Pradimicin O
[CAS# 132971-64-3]

Identification

• Name: Pradimicin O
• Synonyms: D-Alanine, N-((5,6,8,13-Tetrahydro-1,5,9,14-Tetrahydroxy-7,11-Dimethoxy-3-Me- Thyl-8,13-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)-; Aids-028001; D-Alanine, N-((5,6,8,13-Tetrahydro-1,5,9,14-Tetrahydroxy-7,11-Dimethoxy-3-Methyl-8,13-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)-
• Molecular Formula: C₂₉H₂₅NO₁₁
• Molecular Weight: 563.52
• CAS Registry Number: 132971-64-3
• SMILES: [C@H]2(O)C5=C(C1=C(O)C3=C(C(=C1C2)OC)C(=O)C4=C(C3=O)C=C(OC)C=C4O)C(=C(C(=C5)C)C(=O)N[C@@H](C(=O)O)C)O
• InChI: 1S/C29H25NO11/c1-9-5-12-15(31)8-14-20(19(12)24(34)17(9)28(37)30-10(2)29(38)39)26(36)21-22(27(14)41-4)25(35)18-13(23(21)33)6-11(40-3)7-16(18)32/h5-7,10,15,31-32,34,36H,8H2,1-4H3,(H,30,37)(H,38,39)/t10-,15-/m1/s1
• InChIKey: BBIMHVVAVXBCFV-MEBBXXQBSA-N

Properties

• Density: 1.563g/cm³ (Cal.)
• Boiling point: 952.834°C at 760 mmHg (Cal.)
• Flash point: 530.055°C (Cal.)