4,5-Dideoxyshikimic Acid 3-Phosphate
[CAS# 122741-61-1]

Identification

• Name: 4,5-Dideoxyshikimic Acid 3-Phosphate
• Synonyms: (3S)-3-Phosphonooxy-1-Cyclohexenecarboxylic Acid; Dds3p; 4,5-Dideoxy-S3p
• Molecular Formula: C₇H₁₁O₆P
• Molecular Weight: 222.13
• CAS Registry Number: 122741-61-1
• SMILES: [C@@H]1(O[P](=O)(O)O)C=C(CCC1)C(=O)O
• InChI: 1S/C7H11O6P/c8-7(9)5-2-1-3-6(4-5)13-14(10,11)12/h4,6H,1-3H2,(H,8,9)(H2,10,11,12)/t6-/m0/s1
• InChIKey: XGUYJKAVWJYMQN-LURJTMIESA-N

Properties

• Density: 1.566g/cm³ (Cal.)
• Boiling point: 478.435°C at 760 mmHg (Cal.)
• Flash point: 243.149°C (Cal.)