(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-Isothiocyanatooxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 106848-83-3]

Identification

• Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-Isothiocyanatooxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-Isothiocyanato-Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-Isothiocyanato-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-Dihydroxy-6-Isothiocyanato-2-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₁₃H₂₁NO₁₀S
• Molecular Weight: 383.37
• CAS Registry Number: 106848-83-3
• SMILES: [C@@H]1(C(O[C@@H]([C@H]([C@@H]1O)O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)CO)N=C=S)O
• InChI: 1S/C13H21NO10S/c15-1-4-6(17)7(18)10(21)13(23-4)24-11-5(2-16)22-12(14-3-25)9(20)8(11)19/h4-13,15-21H,1-2H2/t4-,5-,6+,7+,8-,9-,10-,11-,12?,13+/m1/s1
• InChIKey: ZBRBEHIGVFMFAH-LTEQSDMASA-N

Properties

• Density: 1.929g/cm³ (Cal.)
• Boiling point: 728.083°C at 760 mmHg (Cal.)
• Flash point: 394.13°C (Cal.)