[(1S,2R,3S,4S,5R,6S)-3,4-Bis(Dihydroxyphosphinothioyloxy)-2,5,6-Trihydroxycyclohexyl]Oxy-Sulfanylphosphinic Acid
[CAS# 113596-09-1]

Identification

• Name: [(1S,2R,3S,4S,5R,6S)-3,4-Bis(Dihydroxyphosphinothioyloxy)-2,5,6-Trihydroxycyclohexyl]Oxy-Sulfanylphosphinic Acid
• Synonyms: [(1S,2R,3S,4S,5R,6S)-3,4-Bis(Dihydroxyphosphinothioyloxy)-2,5,6-Trihydroxy-Cyclohexoxy]-Sulfanyl-Phosphinic Acid; [(1S,2R,3S,4S,5R,6S)-3,4-Bis(Dihydroxyphosphinothioyloxy)-2,5,6-Trihydroxycyclohexoxy]-Mercaptophosphinic Acid; [(1S,2R,3S,4S,5R,6S)-3,4-Bis(Dihydroxythiophosphoryloxy)-2,5,6-Trihydroxy-Cyclohexoxy]-Mercapto-Phosphinic Acid
• Molecular Formula: C₆H₁₅O₁₂P₃S₃
• Molecular Weight: 468.28
• CAS Registry Number: 113596-09-1
• SMILES: [C@@H]1(O[P](=S)(O)O)[C@@H](O[P](=S)(O)O)[C@H](O)[C@H](O)[C@H](O[P](S)(O)=O)[C@H]1O
• InChI: 1S/C6H15O12P3S3/c7-1-2(8)5(17-20(12,13)23)6(18-21(14,15)24)3(9)4(1)16-19(10,11)22/h1-9H,(H2,10,11,22)(H2,12,13,23)(H2,14,15,24)/t1-,2+,3+,4-,5-,6-/m0/s1
• InChIKey: BZIDQHFQSPKXER-HOZKJCLWSA-N

Properties

• Density: 2.131g/cm³ (Cal.)
• Boiling point: 800.827°C at 760 mmHg (Cal.)
• Flash point: 438.124°C (Cal.)