Shikimate-3-Phosphate
[CAS# 63959-45-5]

Identification

• Name: Shikimate-3-Phosphate
• Synonyms: (3R,4S,5R)-4,5-Dihydroxy-3-Phosphonooxy-Cyclohexene-1-Carboxylic Acid; (3R,4S,5R)-4,5-Dihydroxy-3-Phosphonooxy-1-Cyclohexenecarboxylic Acid; 1-Cyclohexene-1-Carboxylic Acid, 4,5-Dihydroxy-3-(Phosphonooxy)-, (3R,4S,5R)-
• Molecular Formula: C₇H₁₁O₈P
• Molecular Weight: 254.13
• CAS Registry Number: 63959-45-5
• SMILES: [C@H]1(O[P](=O)(O)O)[C@@H](O)[C@H](O)CC(=C1)C(=O)O
• InChI: 1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1
• InChIKey: QYOJSKGCWNAKGW-PBXRRBTRSA-N

Properties

• Density: 1.84g/cm³ (Cal.)
• Boiling point: 585.772°C at 760 mmHg (Cal.)
• Flash point: 308.064°C (Cal.)