(2S,3R,4S,5R)-4,5-bis(acetyloxy)-2-(2-methoxyphenoxy)oxan-3-yl acetate

• ChemBase ID: 183841
• Molecular Formular: C18H22O9
• Molecular Mass: 382.36188
• Monoisotopic Mass: 382.12638228
• SMILES: [C@H]1([C@H]([C@H](OC(=O)C)CO[C@H]1Oc1c(OC)cccc1)OC(=O)C)OC(=O)C
• Canonical SMILES: COc1ccccc1O[C@@H]1OC[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C18H22O9/c1-10(19)24-15-9-23-18(27-14-8-6-5-7-13(14)22-4)17(26-12(3)21)16(15)25-11(2)20/h5-8,15-18H,9H2,1-4H3/t15-,16+,17-,18+/m1/s1
• InChIKey: DDOQAIUCIYQWIW-XDNAFOTISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4S,5R)-4,5-bis(acetyloxy)-2-(2-methoxyphenoxy)oxan-3-yl acetate
• IUPAC Traditional name: (2S,3R,4S,5R)-4,5-bis(acetyloxy)-2-(2-methoxyphenoxy)oxan-3-yl acetate

Database IDs

• PubChem SID: 164239751
• PubChem CID: 11872680

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.1976523
• LogD (pH = 7.4): 1.1976523
• Log P: 1.1976523
• Molar Refractivity: 88.1385 cm^3
• Polarizability: 36.23221 Å^3
• Polar Surface Area: 106.59 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds