(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Sulfanylmethyl]Oxan-2-Yl]Oxyhexanal
[CAS# 143801-13-2]

Identification

• Name: (2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Sulfanylmethyl]Oxan-2-Yl]Oxyhexanal
• Synonyms: (2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Sulfanylmethyl]Tetrahydropyran-2-Yl]Oxy-Hexanal; (2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-[[(2S,3R,4S,5S,6S)-3,4,5-Trihydroxy-6-[[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Thio]Methyl]-2-Tetrahydropyranyl]Oxy]Hexanal; (2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-Trihydroxy-6-[[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Thio]Methyl]Tetrahydropyran-2-Yl]Oxy-Hexanal
• Molecular Formula: C₁₈H₃₂O₁₅S
• Molecular Weight: 520.50
• CAS Registry Number: 143801-13-2
• SMILES: [C@@H](C=O)(O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: 1S/C18H32O15S/c19-1-5(22)9(23)10(24)6(2-20)31-17-15(29)13(27)12(26)8(32-17)4-34-18-16(30)14(28)11(25)7(3-21)33-18/h2,5-19,21-30H,1,3-4H2/t5-,6+,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1
• InChIKey: DWLHGQMLURLXIT-PUFVZKSTSA-N

Properties

• Density: 1.761g/cm³ (Cal.)
• Boiling point: 998.53°C at 760 mmHg (Cal.)
• Flash point: 557.691°C (Cal.)