Neohesperidose
[CAS# 17074-02-1]

Identification

• Name: Neohesperidose
• Synonyms: (2S,3R,4R,5R,6S)-2-Methyl-6-[(2R,3R,4S,5S,6R)-2,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-3,4,5-Triol; (2S,3R,4R,5R,6S)-2-Methyl-6-[[(2R,3R,4S,5S,6R)-2,4,5-Trihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]Tetrahydropyran-3,4,5-Triol; (2S,3R,4R,5R,6S)-2-Methyl-6-[(2R,3R,4S,5S,6R)-2,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₁₂H₂₂O₁₀
• Molecular Weight: 326.30
• CAS Registry Number: 17074-02-1
• EINECS: 241-133-6
• SMILES: [C@@H]2(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)CO)O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C
• InChI: 1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12-/m0/s1
• InChIKey: VSRVRBXGIRFARR-OUEGHFHCSA-N

Properties

• Density: 1.662g/cm³ (Cal.)
• Boiling point: 633.936°C at 760 mmHg (Cal.)
• Flash point: 337.192°C (Cal.)