(3R,4S,5R)-5-(Carboxymethyl-(Phosphonomethyl)Amino)-4-Hydroxy-3-Phosphonooxycyclohexene-1-Carboxylic Acid
[CAS# 149453-95-2]

Identification

• Name: (3R,4S,5R)-5-(Carboxymethyl-(Phosphonomethyl)Amino)-4-Hydroxy-3-Phosphonooxycyclohexene-1-Carboxylic Acid
• Synonyms: (3R,4S,5R)-5-(Carboxymethyl-(Phosphonomethyl)Amino)-4-Hydroxy-3-Phosphonooxy-Cyclohexene-1-Carboxylic Acid; (3R,4S,5R)-5-(Carboxymethyl-(Phosphonomethyl)Amino)-4-Hydroxy-3-Phosphonooxy-1-Cyclohexenecarboxylic Acid; Cpasp
• Molecular Formula: C₁₀H₁₇NO₁₂P₂
• Molecular Weight: 405.19
• CAS Registry Number: 149453-95-2
• SMILES: [C@H]1(N(C[P](=O)(O)O)CC(=O)O)[C@H](O)[C@H](O[P](=O)(O)O)C=C(C1)C(=O)O
• InChI: 1S/C10H17NO12P2/c12-8(13)3-11(4-24(17,18)19)6-1-5(10(15)16)2-7(9(6)14)23-25(20,21)22/h2,6-7,9,14H,1,3-4H2,(H,12,13)(H,15,16)(H2,17,18,19)(H2,20,21,22)/t6-,7-,9+/m1/s1
• InChIKey: PQLOPNDFAZZBHL-BHNWBGBOSA-N

Properties

• Density: 1.924g/cm³ (Cal.)
• Boiling point: 860.746°C at 760 mmHg (Cal.)
• Flash point: 474.362°C (Cal.)