D-Glycero-D-Ido-Octulose 1,8-Bisphosphate
[CAS# 70005-40-2]

Identification

• Name: D-Glycero-D-Ido-Octulose 1,8-Bisphosphate
• Synonyms: [(2S,3R,4S,5R,6S)-2,3,4,5,6-Pentahydroxy-7-Oxo-8-Phosphonooxy-Octyl] Dihydrogen Phosphate; [(2S,3R,4S,5R,6S)-2,3,4,5,6-Pentahydroxy-7-Keto-8-Phosphonooxy-Octyl] Dihydrogen Phosphate; D-Glycero-D-Ido-2-Octulose, 1,8-Bis(Dihydrogen Phosphate)
• Molecular Formula: C₈H₁₈O₁₄P₂
• Molecular Weight: 400.17
• CAS Registry Number: 70005-40-2
• SMILES: [C@H](O)([C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO[P](=O)(O)O)C(CO[P](=O)(O)O)=O
• InChI: 1S/C8H18O14P2/c9-3(1-21-23(15,16)17)5(11)7(13)8(14)6(12)4(10)2-22-24(18,19)20/h3,5-9,11-14H,1-2H2,(H2,15,16,17)(H2,18,19,20)/t3-,5+,6+,7-,8-/m0/s1
• InChIKey: FQNLKWXILWAYPZ-JVEFNUALSA-N

Properties

• Density: 2.019g/cm³ (Cal.)
• Boiling point: 918.913°C at 760 mmHg (Cal.)
• Flash point: 509.54°C (Cal.)