(1R,2R,3S,4R,5S,6S)-3,4,5,6-Tetrahydroxy-1,2-cyclohexanediyl bis[dihydrogen (phosphate)] ammoniate (1:1)
[CAS# 69256-54-8]

Identification

• Name: (1R,2R,3S,4R,5S,6S)-3,4,5,6-Tetrahydroxy-1,2-cyclohexanediyl bis[dihydrogen (phosphate)] ammoniate (1:1)
• Synonyms: D-myo-Inositol 4,5-bisphosphate ammonium salt; D-MYO-INOSITOL4,5-BIS-PHOSPHATEAMMONIUMSALT; I3264_SIGMA
• Molecular Formula: C₆H₁₇NO₁₂P₂
• Molecular Weight: 357.15
• CAS Registry Number: 69256-54-8
• SMILES: O=P(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O)(O)O.N
• InChI: 1S/C6H14O12P2.H3N/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13;/h1-10H,(H2,11,12,13)(H2,14,15,16);1H3/t1-,2+,3-,4-,5+,6+;/m0./s1
• InChIKey: SGJUQYWLNXRPQO-BPYBYLIXSA-N

Properties

• Boiling point: 718.3°C at 760 mmHg (Cal.)
• Flash point: 388.2°C (Cal.)