[(2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-Tetrahydroxy-6-Oxohexan-3-Yl]Oxyoxan-2-Yl]Methyl Dihydrogen Phosphate
[CAS# 72929-47-6]

Identification

• Name: [(2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-Tetrahydroxy-6-Oxohexan-3-Yl]Oxyoxan-2-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(2R,3R,4S,5R,6S)-6-[(1R,2R,3R)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Oxo-Butoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3R,4S,5R,6S)-6-[(1R,2R,3R)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Oxobutoxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methyl Dihydrogen Phosphate; [(2R,3R,4S,5R,6S)-6-[(1R,2R,3R)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Keto-Butoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₂H₂₃O₁₄P
• Molecular Weight: 422.28
• CAS Registry Number: 72929-47-6
• SMILES: [C@@H](C=O)(O)[C@@H](O)[C@H](O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO[P](=O)(O)O)[C@H](O)CO
• InChI: 1S/C12H23O14P/c13-1-4(15)7(17)11(5(16)2-14)26-12-10(20)9(19)8(18)6(25-12)3-24-27(21,22)23/h1,4-12,14-20H,2-3H2,(H2,21,22,23)/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1
• InChIKey: QMNITDNTKXPFOP-JVCRWLNRSA-N

Properties

• Density: 1.823g/cm³ (Cal.)
• Boiling point: 883.874°C at 760 mmHg (Cal.)
• Flash point: 488.35°C (Cal.)