(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-Bis(Hydroxymethyl)Oxolan-2-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 25702-74-3]

Identification

• Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-Bis(Hydroxymethyl)Oxolan-2-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-Bis(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-Bis(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-Dimethylol-Tetrahydrofuran-2-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₁₂H₂₂O₁₁
• Molecular Weight: 342.30
• CAS Registry Number: 25702-74-3 (29253-78-9)
• SMILES: [C@]2(O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)(O[C@H](CO)[C@H]([C@@H]2O)O)CO
• InChI: 1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
• InChIKey: CZMRCDWAGMRECN-UGDNZRGBSA-N

Properties

• Density: 1.775g/cm³ (Cal.)
• Melting point: 160-180°C (Expl.)
• Boiling point: 697.107°C at 760 mmHg (Cal.)
• Flash point: 375.397°C (Cal.)
• solubility: 200%

Safety Data

• Safety Description: Thought to present no health hazard.

References

• (1): P. Matthew Joyner, Jinman Liu, Zhijun Zhang, Justin Merritt, Fengxia Qi and Robert H. Cichewicz. Mutanobactin A from the human oral pathogen Streptococcus mutans is a cross-kingdom regulator of the yeast-mycelium transition, Org. Biomol. Chem., 2010, 8, 5486.