Rubradiric Acid A
[CAS# 69282-18-4]

Identification

• Name: Rubradiric Acid A
• Synonyms: 3-Hydroxy-6-[(2-Hydroxy-7-Methoxy-4-Oxo-Chromen-3-Yl)Carbamoyl]-4-[(2R,4R,5S,6S)-5-Methoxy-4,6-Dimethyl-4-Nitro-Tetrahydropyran-2-Yl]Oxy-Pyridine-2-Carboxylic Acid; 3-Hydroxy-6-[[(2-Hydroxy-7-Methoxy-4-Oxo-3-Chromenyl)Amino]-Oxomethyl]-4-[[(2R,4R,5S,6S)-5-Methoxy-4,6-Dimethyl-4-Nitro-2-Tetrahydropyranyl]Oxy]-2-Pyridinecarboxylic Acid; 3-Hydroxy-6-[(2-Hydroxy-4-Keto-7-Methoxy-Chromen-3-Yl)Carbamoyl]-4-[(2R,4R,5S,6S)-5-Methoxy-4,6-Dimethyl-4-Nitro-Tetrahydropyran-2-Yl]Oxy-Picolinic Acid
• Molecular Formula: C₂₅H₂₅N₃O₁₃
• Molecular Weight: 575.48
• CAS Registry Number: 69282-18-4
• SMILES: [C@@]4([N+]([O-])=O)([C@H](OC)[C@@H](O[C@H](OC1=CC(=NC(=C1O)C(O)=O)C(=O)NC2=C(OC3=C(C2=O)C=CC(=C3)OC)O)C4)C)C
• InChI: 1S/C25H25N3O13/c1-10-21(38-4)25(2,28(35)36)9-16(39-10)40-15-8-13(26-17(20(15)30)23(32)33)22(31)27-18-19(29)12-6-5-11(37-3)7-14(12)41-24(18)34/h5-8,10,16,21,30,34H,9H2,1-4H3,(H,27,31)(H,32,33)/t10-,16+,21+,25+/m0/s1
• InChIKey: JTMCANOOKWCIGW-VMZBAHJXSA-N

Properties

• Density: 1.609g/cm³ (Cal.)
• Boiling point: 890.591°C at 760 mmHg (Cal.)
• Flash point: 492.412°C (Cal.)