D-Pantothenic Acid 4'-O-beta-Glucoside
[CAS# 29588-37-2]

Identification

• Name: D-Pantothenic Acid 4'-O-beta-Glucoside
• Synonyms: 3-[[2-Hydroxy-3,3-Dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Butanoyl]Amino]Propanoic Acid; 3-[[2-Hydroxy-3,3-Dimethyl-1-Oxo-4-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Butyl]Amino]Propanoic Acid; 3-[[2-Hydroxy-3,3-Dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Butanoyl]Amino]Propionic Acid
• Molecular Formula: C₁₅H₂₇NO₁₀
• Molecular Weight: 381.38
• CAS Registry Number: 29588-37-2
• SMILES: [C@H]1(OCC(C(C(NCCC(=O)O)=O)O)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO
• InChI: 1S/C15H27NO10/c1-15(2,12(23)13(24)16-4-3-8(18)19)6-25-14-11(22)10(21)9(20)7(5-17)26-14/h7,9-12,14,17,20-23H,3-6H2,1-2H3,(H,16,24)(H,18,19)/t7-,9-,10+,11-,12?,14-/m1/s1
• InChIKey: GMURXYJSTRMISD-GRBZJBESSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 762.73°C at 760 mmHg (Cal.)
• Flash point: 415.084°C (Cal.)