[(1R,2R,3R,4R,5S,6R)-2-Amino-3,5-Dihydroxy-4,6-Diphosphonooxycyclohexyl] Dihydrogen Phosphate
[CAS# 153212-81-8]

Identification

• Name: [(1R,2R,3R,4R,5S,6R)-2-Amino-3,5-Dihydroxy-4,6-Diphosphonooxycyclohexyl] Dihydrogen Phosphate
• Synonyms: [(1R,2R,3R,4R,5S,6R)-2-Amino-3,5-Dihydroxy-4,6-Diphosphonooxy-Cyclohexyl] Dihydrogen Phosphate; D-Myo-Inositol, 3-Amino-3-Deoxy-, 1,4,5-Tris(Dihydrogen Phosphate); 3-Amino-3-Deoxy-Ins(1,4,5)P3
• Molecular Formula: C₆H₁₆NO₁₄P₃
• Molecular Weight: 419.11
• CAS Registry Number: 153212-81-8
• SMILES: [C@H]1(O[P](=O)(O)O)[C@H](O[P](=O)(O)O)[C@H](N)[C@@H](O)[C@@H](O[P](=O)(O)O)[C@@H]1O
• InChI: 1S/C6H16NO14P3/c7-1-2(8)5(20-23(13,14)15)3(9)6(21-24(16,17)18)4(1)19-22(10,11)12/h1-6,8-9H,7H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4-,5-,6-/m1/s1
• InChIKey: RHUZQIJSAKZPDO-UOTPTPDRSA-N

Properties

• Density: 2.172g/cm³ (Cal.)
• Boiling point: 878.093°C at 760 mmHg (Cal.)
• Flash point: 484.854°C (Cal.)