[(2S,3R,5S,6R)-2,3,4,5,6-Pentaphosphonooxycyclohexyl] Phosphono Hydrogen Phosphate
[CAS# 149714-25-0]

Identification

• Name: [(2S,3R,5S,6R)-2,3,4,5,6-Pentaphosphonooxycyclohexyl] Phosphono Hydrogen Phosphate
• Synonyms: (1R,2R,3S,4S,5R,6S)-2,3,4,5,6-Pentakis(Phosphonooxy)Cyclohexyl Trihydrogen Diphosphate; 1,2,3,4,6-Pentakis-O-Phosphono-1D-Myo-Inositol 5-(Trihydrogen Diphosphate); 5-Diphospho-1D-Myo-Inositol 1,2,3,4,6-Pentakisphosphate
• Molecular Formula: C₆H₁₉O₂₇P₇
• Molecular Weight: 740.02
• CAS Registry Number: 149714-25-0
• SMILES: [C@H]1(O[P](O)(O)=O)C(O[P](O[P](O)(O)=O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)C(O[P](O)(O)=O)[C@@H]1O[P](O)(O)=O
• InChI: 1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1?,2-,3+,4+,5-,6?
• InChIKey: UPHPWXPNZIOZJL-UYSNGIAKSA-N

Properties

• Density: 2.458g/cm³ (Cal.)
• Boiling point: 1246.106°C at 760 mmHg (Cal.)
• Flash point: 707.42°C (Cal.)