3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol

C71H128O38S — CID 118601898

About 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol

3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol (PubChem CID 118601898) has the molecular formula C71H128O38S and a molecular weight of 1621.83 g/mol. Its IUPAC name is 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol.

Molecular Properties

• Compound Name: 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol
• PubChem CID: 118601898
• Molecular Formula: C71H128O38S
• Molecular Weight: 1621.83 g/mol
• Exact Mass: 1620.78
• IUPAC Name: 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol
• SMILES: COCC(O)COCC(COCC(O)COc1ccc(S(=O)(=O)c2ccc(OCC(CO)OCC(COCC(CO)OCC(O)COCC(COC)OCC(O)COC)OCC(O)COCC(COCC(COC)OCC(O)COC)OCC(O)COC)cc2)cc1)OCC(COCC(O)COC)OCC(O)COC
• InChI: InChI=1S/C71H128O38S/c1-85-19-51(74)25-93-43-67(109-50-68(105-33-56(79)24-90-6)46-94-26-52(75)20-86-2)44-97-27-57(80)34-100-60-9-13-70(14-10-60)110(83,84)71-15-11-61(12-16-71)107-48-63(18-73)108-49-69(47-98-39-62(17-72)101-35-58(81)28-95-40-64(37-91-7)102-30-53(76)21-87-3)106-36-59(82)29-96-42-66(104-32-55(78)23-89-5)45-99-41-65(38-92-8)103-31-54(77)22-88-4/h9-16,51-59,62-69,72-82H,17-50H2,1-8H3
• InChIKey: DKDANPGRJLTDIV-UHFFFAOYSA-N
• XLogP: -4.12
• TPSA: 487.42 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 78
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1621.83
LogP ≤ 5	-4.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol?

The IUPAC name of 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol (CID 118601898) is 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol.

What is the SMILES notation for 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol?

The canonical SMILES for 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol is COCC(O)COCC(COCC(O)COc1ccc(S(=O)(=O)c2ccc(OCC(CO)OCC(COCC(CO)OCC(O)COCC(COC)OCC(O)COC)OCC(O)COCC(COCC(COC)OCC(O)COC)OCC(O)COC)cc2)cc1)OCC(COCC(O)COC)OCC(O)COC.

What is the InChIKey of 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol?

The InChIKey is DKDANPGRJLTDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H128O38S/c1-85-19-51(74)25-93-43-67(109-50-68(105-33-56(79)24-90-6)46-94-26-52(75)20-86-2)44-97-27-57(80)34-100-60-9-13-70(14-10-60)110(83,84)71-15-11-61(12-16-71)107-48-63(18-73)108-49-69(47-98-39-62(17-72)101-35-58(81)28-95-40-64(37-91-7)102-30-53(76)21-87-3)106-36-59(82)29-96-42-66(104-32-55(78)23-89-5)45-99-41-65(38-92-8)103-31-54(77)22-88-4/h9-16,51-59,62-69,72-82H,17-50H2,1-8H3.

What are the key properties of 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol?

3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol has a molecular weight of 1621.83 g/mol, XLogP of -4.12, 78 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[1-[4-[4-[3-[2-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]-3-(2-hydroxy-3-methoxypropoxy)propoxy]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-3-hydroxypropan-2-yl]oxy-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propoxy]propoxy]-2-[2-hydroxy-3-[2-(2-hydroxy-3-methoxypropoxy)-3-methoxypropoxy]propoxy]propan-1-ol is sourced from PubChem (CID 118601898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).