(3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol

C36H57FO6SSi4 — CID 70971392

About (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol

(3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol (PubChem CID 70971392) has the molecular formula C36H57FO6SSi4 and a molecular weight of 749.25 g/mol. Its IUPAC name is (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol.

Molecular Properties

• Compound Name: (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol
• PubChem CID: 70971392
• Molecular Formula: C36H57FO6SSi4
• Molecular Weight: 749.25 g/mol
• Exact Mass: 748.29
• IUPAC Name: (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol
• SMILES: Cc1ccc(C2(O)OC(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)cc1Cc1ccc(-c2ccc(F)cc2)s1
• InChI: InChI=1S/C36H57FO6SSi4/c1-25-14-17-28(22-27(25)23-30-20-21-32(44-30)26-15-18-29(37)19-16-26)36(38)35(43-48(11,12)13)34(42-47(8,9)10)33(41-46(5,6)7)31(40-36)24-39-45(2,3)4/h14-22,31,33-35,38H,23-24H2,1-13H3/t31?,33-,34?,35-,36?/m1/s1
• InChIKey: YZFQLHRSWVLYNM-ATRLRJCSSA-N
• XLogP: 9.51
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.25
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol?

The IUPAC name of (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol (CID 70971392) is (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol.

What is the SMILES notation for (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol?

The canonical SMILES for (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol is Cc1ccc(C2(O)OC(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)cc1Cc1ccc(-c2ccc(F)cc2)s1.

What is the InChIKey of (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol?

The InChIKey is YZFQLHRSWVLYNM-ATRLRJCSSA-N. The full InChI is InChI=1S/C36H57FO6SSi4/c1-25-14-17-28(22-27(25)23-30-20-21-32(44-30)26-15-18-29(37)19-16-26)36(38)35(43-48(11,12)13)34(42-47(8,9)10)33(41-46(5,6)7)31(40-36)24-39-45(2,3)4/h14-22,31,33-35,38H,23-24H2,1-13H3/t31?,33-,34?,35-,36?/m1/s1.

What are the key properties of (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol?

(3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol has a molecular weight of 749.25 g/mol, XLogP of 9.51, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol is sourced from PubChem (CID 70971392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).