(3R,4S,6S)-4,6-bis(acetyloxy)oxan-3-yl acetate

• ChemBase ID: 166010
• Molecular Formular: C11H16O7
• Molecular Mass: 260.24054
• Monoisotopic Mass: 260.08960285
• SMILES: C1[C@H]([C@H](C[C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)O[C@@H]1OC[C@H]([C@H](C1)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C11H16O7/c1-6(12)16-9-4-11(18-8(3)14)15-5-10(9)17-7(2)13/h9-11H,4-5H2,1-3H3/t9-,10+,11-/m0/s1
• InChIKey: DJXJTSGHFMVUCG-AXFHLTTASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S,6S)-4,6-bis(acetyloxy)oxan-3-yl acetate
• IUPAC Traditional name: (3R,4S,6S)-4,6-bis(acetyloxy)oxan-3-yl acetate
• Synonyms: β-D-2-Deoxy-ribopyranose Triacetate; 2-Deoxy-β-D-erythro-pentopyranose Triacetate; 2-Deoxy-D-ribose 1,3,4-Triacetate

Database IDs

• CAS Number: 4258-01-9
• PubChem SID: 162260143
• PubChem CID: 9856496

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.078189984
• LogD (pH = 7.4): -0.078189984
• Log P: -0.078189984
• Molar Refractivity: 55.9047 cm^3
• Polarizability: 23.490639 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Toluene
• Apperance: White Solid

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - D252005

Protected 2-Deoxy-D-ribose (D252000). Induces apoptosis by inhibiting the synthesis and increasing the efflux of glutathione.

REFERENCES

• Fico, A., et al.: Free Radical Biology & Medicine, 45, 211 (2008)