alpha,alpha-Trehalose 6,6'-Diphosphate
[CAS# 1745-65-9]

Identification

• Name: alpha,alpha-Trehalose 6,6'-Diphosphate
• Synonyms: [(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Phosphonooxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Phosphonooxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Phosphonooxymethyl)Oxan-2-Yl]Oxy-Oxan-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₂H₂₄O₁₇P₂
• Molecular Weight: 502.26
• CAS Registry Number: 1745-65-9
• SMILES: [C@@H]2(O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO[P](=O)(O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO[P](=O)(O)O
• InChI: 1S/C12H24O17P2/c13-5-3(1-25-30(19,20)21)27-11(9(17)7(5)15)29-12-10(18)8(16)6(14)4(28-12)2-26-31(22,23)24/h3-18H,1-2H2,(H2,19,20,21)(H2,22,23,24)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
• InChIKey: UKVYVCPNPMKOAO-LIZSDCNHSA-N

Properties

• Density: 1.999g/cm³ (Cal.)
• Boiling point: 894.487°C at 760 mmHg (Cal.)
• Flash point: 494.768°C (Cal.)