Sodium (2S,3R,4S,5R)-3,4,5-Trihydroxy-6-Oxopiperidine-2-Carboxylate
[CAS# 31675-02-2]

Identification

• Name: Sodium (2S,3R,4S,5R)-3,4,5-Trihydroxy-6-Oxopiperidine-2-Carboxylate
• Synonyms: Sodium (2S,3R,4S,5R)-3,4,5-Trihydroxy-6-Oxo-Piperidine-2-Carboxylate; Sodium (2S,3R,4S,5R)-3,4,5-Trihydroxy-6-Oxo-2-Piperidinecarboxylate; Sodium (2S,3R,4S,5R)-3,4,5-Trihydroxy-6-Keto-Pipecolinate
• Molecular Formula: C₆H₈NNaO₆
• Molecular Weight: 213.12
• CAS Registry Number: 31675-02-2
• SMILES: [C@@H]1(NC(=O)[C@H](O)[C@@H](O)[C@@H]1O)C([O-])=O.[Na+]
• InChI: 1S/C6H9NO6.Na/c8-2-1(6(12)13)7-5(11)4(10)3(2)9;/h1-4,8-10H,(H,7,11)(H,12,13);/q;+1/p-1/t1-,2+,3-,4+;/m0./s1
• InChIKey: NEHLUFNEXRUTNQ-FQQRNOFLSA-M

Properties

• Boiling point: 597.9°C at 760 mmHg (Cal.)
• Flash point: 315.4°C (Cal.)