(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-(2-Adamantylamino)-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 178563-29-6]

Identification

• Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-(2-Adamantylamino)-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-(2-Adamantylamino)-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5S,6R)-6-(2-Adamantylamino)-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-(2-Adamantylamino)-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₂H₃₇NO₁₀
• Molecular Weight: 475.54
• CAS Registry Number: 178563-29-6
• SMILES: [C@H]5(O[C@H]4[C@@H]([C@@H]([C@H](NC1C3CC2CC(CC1C2)C3)O[C@@H]4CO)O)O)[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
• InChI: 1S/C22H37NO10/c24-6-12-15(26)16(27)19(30)22(32-12)33-20-13(7-25)31-21(18(29)17(20)28)23-14-10-2-8-1-9(4-10)5-11(14)3-8/h8-30H,1-7H2/t8?,9?,10?,11?,12-,13-,14?,15-,16+,17-,18+,19-,20-,21-,22+/m1/s1
• InChIKey: DMUIWVYYEDVXRR-OCXOTAFCSA-N

Properties

• Density: 1.524g/cm³ (Cal.)
• Boiling point: 742.196°C at 760 mmHg (Cal.)
• Flash point: 402.666°C (Cal.)