N-((5,6,8,13-Tetrahydro-1,5,6,7,9,11,14-Heptahydroxy-3-Methyl-8,13-Dioxobenzo(a)Naphthacen-2-Yl)Carbonyl)-D-Alanine
[CAS# 132971-65-4]

Identification

• Name: N-((5,6,8,13-Tetrahydro-1,5,6,7,9,11,14-Heptahydroxy-3-Methyl-8,13-Dioxobenzo(a)Naphthacen-2-Yl)Carbonyl)-D-Alanine
• Synonyms: Pradimicin P
• Molecular Formula: C₂₇H₂₁NO₁₂
• Molecular Weight: 551.46
• CAS Registry Number: 132971-65-4
• SMILES: [C@H](NC(=O)C1=C(C=C5C(=C1O)C2=C(C(=C3C(=C2O)C(=O)C4=C(C3=O)C(=CC(=C4)O)O)O)C(O)C5O)C)(C(=O)O)C
• InChI: 1S/C27H21NO12/c1-6-3-9-14(21(33)12(6)26(38)28-7(2)27(39)40)15-16(25(37)20(9)32)24(36)18-17(23(15)35)19(31)10-4-8(29)5-11(30)13(10)22(18)34/h3-5,7,20,25,29-30,32-33,35-37H,1-2H3,(H,28,38)(H,39,40)/t7-,20?,25?/m1/s1
• InChIKey: ZYIREGFVRPWOMN-OQBCBSLASA-N

Properties

• Density: 1.799g/cm³ (Cal.)
• Boiling point: 897.078°C at 760 mmHg (Cal.)
• Flash point: 496.335°C (Cal.)