4-Nitrophenyl myo-inositol-1-phosphate
[CAS# 142741-72-8]

Identification

• Name: 4-Nitrophenyl myo-inositol-1-phosphate
• Synonyms: Ammonium (1S,2R,3S,4R,5S,6S)-2,3,4,5-Tetrahydroxy-6-[Hydroxy-(4-Nitrophenoxy)Phosphoryl]Oxy-Cyclohexan-1-Olate; Ammonium (1S,2R,3S,4R,5S,6S)-2,3,4,5-Tetrahydroxy-6-[Hydroxy-(4-Nitrophenoxy)Phosphoryl]Oxy-1-Cyclohexanolate; Azanium (1S,2R,3S,4R,5S,6S)-2,3,4,5-Tetrahydroxy-6-[Hydroxy-(4-Nitrophenoxy)Phosphoryl]Oxy-Cyclohexan-1-Olate
• Molecular Formula: C₁₂H₁₉N₂O₁₁P
• Molecular Weight: 398.26
• CAS Registry Number: 142741-72-8
• SMILES: [N](=O)(=O)C2=CC=C(O[P](O[C@H]1[C@@H]([O-])[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)(=O)O)C=C2.[NH4+]
• InChI: 1S/C12H15NO11P.H3N/c14-7-8(15)10(17)12(11(18)9(7)16)24-25(21,22)23-6-3-1-5(2-4-6)13(19)20;/h1-4,7-12,14-17H,(H,21,22);1H3/q-1;/p+1/t7-,8-,9+,10+,11+,12-;/m1./s1
• InChIKey: JDHOSGCTUVQPRG-CZVFWDMWSA-O

Properties

• Boiling point: 598.9°C at 760 mmHg (Cal.)
• Flash point: 316°C (Cal.)