(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

• Catalog: OFC866607354
• CAS: 866607-35-4
• Category: Fluorinated Thiophenes
• Synonyms: (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-D-glucitol
• Purity: 97%
• MDL Number: MFCD28167873

• IUPAC Name: [(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxan-2-yl]methyl acetate
• InChI: InChI=1S/C32H33FO9S/c1-17-6-7-23(14-24(17)15-26-12-13-28(43-26)22-8-10-25(33)11-9-22)29-31(40-20(4)36)32(41-21(5)37)30(39-19(3)35)27(42-29)16-38-18(2)34/h6-14,27,29-32H,15-16H2,1-5H3/t27-,29+,30-,31+,32+/m1/s1
• InChI Key: XYBGJUIUCFENGS-IFUGWHCZSA-N
• Isomeric SMILES: CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CC3=CC=C(S3)C4=CC=C(C=C4)F
• EC Number: 617-901-5

• Molecular Formula: C32H33FO9S
• Molecular Weight: 612.66

• XLogP3-AA: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 13
• Exact Mass: 612.18293196 g/mol
• Monoisotopic Mass: 612.18293196 g/mol
• Topological Polar Surface Area: 143Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 986