(1R,2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-1,2,3-Cyclohexanetriyl Tris[Dihydrogen (Phosphate)] Ammoniate (1:1)
[CAS# 135027-58-6]

Identification

• Name: (1R,2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-1,2,3-Cyclohexanetriyl Tris[Dihydrogen (Phosphate)] Ammoniate (1:1)
• Synonyms: D-myo-Inositol 1,5,6-tris- phosphate ammonium salt; D-myo-Inositol 1,5,6-trisphosphate ammonium salt; I6765_SIGMA
• Molecular Formula: C₆H₁₈NO₁₅P₃
• Molecular Weight: 437.13
• CAS Registry Number: 135027-58-6
• SMILES: N.O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
• InChI: 1S/C6H15O15P3.H3N/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);1H3/t1-,2-,3-,4+,5-,6-;/m1./s1
• InChIKey: MWPGDKRESDTMSH-TYZYTZLSSA-N

Properties

• Boiling point: 863.7°C at 760 mmHg (Cal.)
• Flash point: 476.2°C (Cal.)
• Refractive index: (Cal.)