Gentianose
[CAS# 25954-44-3]

Identification

• Name: Gentianose
• Synonyms: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-Bis(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]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-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]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-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₁₈H₃₂O₁₆
• Molecular Weight: 504.44
• CAS Registry Number: 25954-44-3
• EINECS: 247-364-9
• SMILES: [C@]3(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)(O[C@@H]([C@@H](O)[C@@H]3O)CO)CO
• InChI: 1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1
• InChIKey: MUPFEKGTMRGPLJ-WSCXOGSTSA-N

Properties

• Density: 1.815g/cm³ (Cal.)
• Melting point: 208-210°C (Expl.)
• Boiling point: 884.788°C at 760 mmHg (Cal.)
• Flash point: 488.902°C (Cal.)