(3R,4S,5R)-5-Amino-4-Hydroxy-3-Phosphonooxycyclohexene-1-Carboxylic Acid
[CAS# 135292-59-0]

Identification

• Name: (3R,4S,5R)-5-Amino-4-Hydroxy-3-Phosphonooxycyclohexene-1-Carboxylic Acid
• Synonyms: (3R,4S,5R)-5-Amino-4-Hydroxy-3-Phosphonooxy-Cyclohexene-1-Carboxylic Acid; (3R,4S,5R)-5-Amino-4-Hydroxy-3-Phosphonooxy-1-Cyclohexenecarboxylic Acid; 5-Aminoshikimate-3-Phosphate
• Molecular Formula: C₇H₁₂NO₇P
• Molecular Weight: 253.15
• CAS Registry Number: 135292-59-0
• SMILES: [C@H]1(O[P](=O)(O)O)[C@@H](O)[C@H](N)CC(=C1)C(=O)O
• InChI: 1S/C7H12NO7P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,9H,1,8H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1
• InChIKey: RPEBFFQWTDZBGR-PBXRRBTRSA-N

Properties

• Density: 1.754g/cm³ (Cal.)
• Boiling point: 585.495°C at 760 mmHg (Cal.)
• Flash point: 307.897°C (Cal.)