bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane

C112H174O24S5 — CID 158464871

About bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane

bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane (PubChem CID 158464871) has the molecular formula C112H174O24S5 and a molecular weight of 2064.93 g/mol. Its IUPAC name is bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane.

Molecular Properties

• Compound Name: bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane
• PubChem CID: 158464871
• Molecular Formula: C112H174O24S5
• Molecular Weight: 2064.93 g/mol
• Exact Mass: 2063.10
• IUPAC Name: bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane
• SMILES: C.C.C.CC(=O)C1OC(C)C(O)C(C)C1(C)C.CC(=O)C1OC(C)C(O)C(C)C1C.CC(=O)C1OC(C)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C
• InChI: InChI=1S/3C16H22O3S.2C15H20O3S.C11H20O3.2C10H18O3.3CH4/c3*1-10-13(18)15(20-12-8-6-5-7-9-12)19-14(11(2)17)16(10,3)4;2*1-9-10(2)14(11(3)16)18-15(13(9)17)19-12-7-5-4-6-8-12;1-6-9(13)8(3)14-10(7(2)12)11(6,4)5;2*1-5-6(2)10(7(3)11)13-8(4)9(5)12;;;/h3*5-10,13-15,18H,1-4H3;2*4-10,13-15,17H,1-3H3;6,8-10,13H,1-5H3;2*5-6,8-10,12H,1-4H3;3*1H4
• InChIKey: HFPZVXKFTCNIIW-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 372.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2064.93
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane?

The IUPAC name of bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane (CID 158464871) is bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane.

What is the SMILES notation for bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane?

The canonical SMILES for bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane is C.C.C.CC(=O)C1OC(C)C(O)C(C)C1(C)C.CC(=O)C1OC(C)C(O)C(C)C1C.CC(=O)C1OC(C)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.

What is the InChIKey of bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane?

The InChIKey is HFPZVXKFTCNIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H22O3S.2C15H20O3S.C11H20O3.2C10H18O3.3CH4/c3*1-10-13(18)15(20-12-8-6-5-7-9-12)19-14(11(2)17)16(10,3)4;2*1-9-10(2)14(11(3)16)18-15(13(9)17)19-12-7-5-4-6-8-12;1-6-9(13)8(3)14-10(7(2)12)11(6,4)5;2*1-5-6(2)10(7(3)11)13-8(4)9(5)12;;;/h3*5-10,13-15,18H,1-4H3;2*4-10,13-15,17H,1-3H3;6,8-10,13H,1-5H3;2*5-6,8-10,12H,1-4H3;3*1H4.

What are the key properties of bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane?

bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane has a molecular weight of 2064.93 g/mol, XLogP of 20.08, 18 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane is sourced from PubChem (CID 158464871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).