(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-2,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Sulfanyloxane-3,4,5-Triol
[CAS# 158213-27-5]

Identification

• Name: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-2,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Sulfanyloxane-3,4,5-Triol
• Synonyms: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-2,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Sulfanyl-Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[[(2S,3R,4S,5S,6R)-2,4,5-Trihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Thio]Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5R,6S)-2-Methylol-6-[[(2S,3R,4S,5S,6R)-2,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Thio]Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₁₂H₂₂O₁₀S
• Molecular Weight: 358.36
• CAS Registry Number: 158213-27-5
• SMILES: [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O)O)O)CO
• InChI: 1S/C12H22O10S/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1
• InChIKey: LZOBVHNAVZABHO-NCFXGAEVSA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)
• Boiling point: 738.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 400.1±32.9°C (Cal.)