(3aS,4R,6aS)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-4-carboxylic acid
[CAS# 227619-64-9]

Identification

• Name: (3aS,4R,6aS)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-4-carboxylic acid
• Synonyms: HIP-A
• Molecular Formula: C₆H₈N₂O₄
• Molecular Weight: 172.14
• CAS Registry Number: 227619-64-9
• SMILES: C1[C@@H]2[C@H]([C@@H](N1)C(=O)O)C(=NO2)O
• InChI: 1S/C6H8N2O4/c9-5-3-2(12-8-5)1-7-4(3)6(10)11/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m1/s1
• InChIKey: XJSXFNHFIBCTDU-BXXZVTAOSA-N

Properties

• Density: 2.2±0.1g/cm³ (Cal.)
• Boiling point: 438.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 218.9±31.5°C (Cal.)
• Refractive index: 1.833 (Cal.)