1-(2-Carboxyphenylamino)-1-Deoxyribulose 5-Phosphate
[CAS# 5962-18-5]

Identification

• Name: 1-(2-Carboxyphenylamino)-1-Deoxyribulose 5-Phosphate
• Synonyms: 2-[[(3R,4R)-3,4-Dihydroxy-2-Oxo-5-Phosphonooxy-Pentyl]Amino]Benzoic Acid; 2-[[(3R,4R)-3,4-Dihydroxy-2-Keto-5-Phosphonooxy-Pentyl]Amino]Benzoic Acid; 1-(2-Carboxyphenylamino)-1-Deoxy-D-Erythro-Pent-2-Ulose 5-(Dihydrogen Phosphate)
• Molecular Formula: C₁₂H₁₆NO₉P
• Molecular Weight: 349.23
• CAS Registry Number: 5962-18-5
• SMILES: [C@@H](O)([C@H](O)CO[P](O)(O)=O)C(=O)CNC1=CC=CC=C1C(O)=O
• InChI: 1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)/t10-,11+/m1/s1
• InChIKey: QKMBYNRMPRKVTO-MNOVXSKESA-N

Properties

• Density: 1.697g/cm³ (Cal.)
• Boiling point: 766.974°C at 760 mmHg (Cal.)
• Flash point: 417.651°C (Cal.)