(2S,3S,4S,5S)-4,5-bis(acetyloxy)-2-azidooxan-3-yl acetate

• ChemBase ID: 81923
• Molecular Formular: C11H15N3O7
• Molecular Mass: 301.2527
• Monoisotopic Mass: 301.09099984
• SMILES: [N+](=N[C@@H]1[C@H]([C@H]([C@@H](OC(=O)C)CO1)OC(=O)C)OC(=O)C)=[N-]
• Canonical SMILES: [N-]=[N+]=N[C@H]1OC[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C11H15N3O7/c1-5(15)19-8-4-18-11(13-14-12)10(21-7(3)17)9(8)20-6(2)16/h8-11H,4H2,1-3H3/t8-,9-,10-,11-/m0/s1
• InChIKey: LMAJKBXVWKPVDF-NAKRPEOUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S,4S,5S)-4,5-bis(acetyloxy)-2-azidooxan-3-yl acetate
• IUPAC Traditional name: (2S,3S,4S,5S)-4,5-bis(acetyloxy)-2-azidooxan-3-yl acetate
• Synonyms: 1-[3,4,5-tri(acetyloxy)tetrahydro-2H-pyran-2-yl]triaza-1,2-dien-2-ium

Database IDs

• MDL Number: MFCD00275356
• PubChem SID: 162069042
• PubChem CID: 71299455

CALCULATED PROPERTIES

• Acid pKa: 4.498387
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.26087064
• LogD (pH = 7.4): -0.27236596
• Log P: -0.15848361
• Molar Refractivity: 63.7079 cm^3
• Polarizability: 25.894894 Å^3
• Polar Surface Area: 117.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true