(3aR,4R,5S,6S,6aS)-4-(Hydroxymethyl)-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Amino]-3a,5,6,6a-Tetrahydrocyclopenta[d][1,3]Oxazole-4,5,6-Triol
[CAS# 132729-37-4]

Identification

• Name: (3aR,4R,5S,6S,6aS)-4-(Hydroxymethyl)-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Amino]-3a,5,6,6a-Tetrahydrocyclopenta[d][1,3]Oxazole-4,5,6-Triol
• Synonyms: (3Ar,4R,5S,6S,6As)-4-(Hydroxymethyl)-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Amino]-3A,5,6,6A-Tetrahydrocyclopenta[D]Oxazole-4,5,6-Triol; (3Ar,4R,5S,6S,6As)-4-(Hydroxymethyl)-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Amino]-3A,5,6,6A-Tetrahydrocyclopenta[D]Oxazole-4,5,6-Triol; (3Ar,4R,5S,6S,6As)-4-Methylol-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Amino]-3A,5,6,6A-Tetrahydrocyclopenta[D]Oxazole-4,5,6-Triol
• Molecular Formula: C₁₃H₂₂N₂O₁₀
• Molecular Weight: 366.32
• CAS Registry Number: 132729-37-4
• SMILES: [C@@H]12N=C(O[C@@H]1[C@@H](O)[C@H](O)[C@]2(O)CO)N[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C13H22N2O10/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
• InChIKey: NRKVPNOUINUNKY-UXTOMXPUSA-N

Properties

• Density: 2.256g/cm³ (Cal.)
• Boiling point: 767.781°C at 760 mmHg (Cal.)
• Flash point: 418.139°C (Cal.)

References

• (1): F. Cardona, A. Goti, C. Parmeggiani, P. Parenti, M. Forcella, P. Fusi, L. Cipolla, S. M. Roberts, G. J. Davies and T. M. Gloster. Casuarine-6-O-α-d-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases, Chem. Commun., 2010