(1R,2R,3R,4S,5R,6R)-5,6-Dihydroxy-1,2,3,4-cyclohexanetetrayl tetrakis[dihydrogen (phosphate)] ammoniate (1:1)
[CAS# 91796-88-2]

Identification

• Name: (1R,2R,3R,4S,5R,6R)-5,6-Dihydroxy-1,2,3,4-cyclohexanetetrayl tetrakis[dihydrogen (phosphate)] ammoniate (1:1)
• Synonyms: D-myo-Inositol 1,2,5,6-tetra- kis- phos- phate ammonium salt; D-myo-Inositol 1,2,5,6-tetrakisphosphate ammonium salt
• Molecular Formula: C₆H₁₉NO₁₈P₄
• Molecular Weight: 517.11
• CAS Registry Number: 91796-88-2
• SMILES: O=P(O)(O[C@H]1[C@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O)O.N
• InChI: 1S/C6H16O18P4.H3N/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11;/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);1H3/t1-,2-,3-,4+,5-,6-;/m1./s1
• InChIKey: MPALWCVIGLCHDH-TYZYTZLSSA-N

Properties

• Boiling point: 997.5°C at 760 mmHg (Cal.)
• Flash point: 557.1°C (Cal.)