Ammonia; [(1R,2S,3R,4R,5S,6S)-2,3-Dihydroxy-4,5,6-Triphosphonooxy-Cyclohexyl] Dihydrogen Phosphate
[CAS# 135027-59-7]

Identification

• Name: Ammonia; [(1R,2S,3R,4R,5S,6S)-2,3-Dihydroxy-4,5,6-Triphosphonooxy-Cyclohexyl] Dihydrogen Phosphate
• Synonyms: Ins(1,4,5,6)P4, NH4+
• Molecular Formula: C₆H₄₀N₈O₁₈P₄
• Molecular Weight: 636.32
• CAS Registry Number: 135027-59-7
• SMILES: [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O.N.N.N.N.N.N.N.N
• InChI: 1S/C6H16O18P4.8H3N/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);8*1H3/t1-,2+,3-,4-,5+,6+;;;;;;;;/m1......../s1
• InChIKey: CTBLEQHLXAUEKH-FPQWBLQBSA-N

Properties

• Refractive index: (Cal.)