3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid

C150H162N6O18 — CID 159095994

About 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid

3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid (PubChem CID 159095994) has the molecular formula C150H162N6O18 and a molecular weight of 2406.39 g/mol. Its IUPAC name is 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid.

Molecular Properties

• Compound Name: 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid
• PubChem CID: 159095994
• Molecular Formula: C150H162N6O18
• Molecular Weight: 2406.39 g/mol
• Exact Mass: 2404.63
• IUPAC Name: 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid
• SMILES: [2H]c1c([2H])c(CC([2H])([2H])C([2H])([2H])NC[C@H](O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].[2H]c1c([2H])c(CC([2H])([2H])CNC([2H])([2H])[C@H](O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].[2H]c1c([2H])c(CC([2H])([2H])CNC[C@]([2H])(O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].[2H]c1c([2H])c(CCC([2H])([2H])NC([2H])([2H])[C@H](O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].[2H]c1c([2H])c(CCC([2H])([2H])NC[C@]([2H])(O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].[2H]c1c([2H])c(CCCNC([2H])([2H])[C@@]([2H])(O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H]
• InChI: InChI=1S/6C25H27NO3/c6*1-18-6-2-11-22(14-18)24(27)17-26-13-5-8-19-7-3-9-20(15-19)21-10-4-12-23(16-21)25(28)29/h6*2-4,6-7,9-12,14-16,24,26-27H,5,8,13,17H2,1H3,(H,28,29)/t6*24-/m100000/s1/i2D,3D,6D,7D,9D,11D,14D,15D,17D2,24D;2D,3D,6D,7D,9D,11D,13D2,14D,15D,24D;2D,3D,6D,7D,9D,11D,13D2,14D,15D,17D2;2D,3D,5D2,6D,7D,9D,11D,14D,15D,24D;2D,3D,5D2,6D,7D,9D,11D,14D,15D,17D2;2D,3D,5D2,6D,7D,9D,11D,13D2,14D,15D
• InChIKey: KCRFUSLZSUGNQS-XHEFOHDWSA-N
• XLogP: 27.70
• TPSA: 417.36 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 18
• Rotatable Bonds: 54
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2406.39
LogP ≤ 5	27.70
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid?

The IUPAC name of 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid (CID 159095994) is 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid.

What is the SMILES notation for 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid?

The canonical SMILES for 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid is [2H]c1c([2H])c(CC([2H])([2H])C([2H])([2H])NC[C@H](O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].[2H]c1c([2H])c(CC([2H])([2H])CNC([2H])([2H])[C@H](O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].[2H]c1c([2H])c(CC([2H])([2H])CNC[C@]([2H])(O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].[2H]c1c([2H])c(CCC([2H])([2H])NC([2H])([2H])[C@H](O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].[2H]c1c([2H])c(CCC([2H])([2H])NC[C@]([2H])(O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].[2H]c1c([2H])c(CCCNC([2H])([2H])[C@@]([2H])(O)c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c(-c2cccc(C(=O)O)c2)c1[2H].

What is the InChIKey of 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid?

The InChIKey is KCRFUSLZSUGNQS-XHEFOHDWSA-N. The full InChI is InChI=1S/6C25H27NO3/c6*1-18-6-2-11-22(14-18)24(27)17-26-13-5-8-19-7-3-9-20(15-19)21-10-4-12-23(16-21)25(28)29/h6*2-4,6-7,9-12,14-16,24,26-27H,5,8,13,17H2,1H3,(H,28,29)/t6*24-/m100000/s1/i2D,3D,6D,7D,9D,11D,14D,15D,17D2,24D;2D,3D,6D,7D,9D,11D,13D2,14D,15D,24D;2D,3D,6D,7D,9D,11D,13D2,14D,15D,17D2;2D,3D,5D2,6D,7D,9D,11D,14D,15D,24D;2D,3D,5D2,6D,7D,9D,11D,14D,15D,17D2;2D,3D,5D2,6D,7D,9D,11D,13D2,14D,15D.

What are the key properties of 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid?

3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid has a molecular weight of 2406.39 g/mol, XLogP of 27.70, 54 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-2-deuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3,3-dideuterio-3-[[(2R)-1,1-dideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[2,2,3,3-tetradeuterio-3-[[(2R)-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid;3-[2,3,4,6-tetradeuterio-5-[3-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,6-tetradeuterio-5-methylphenyl)ethyl]amino]propyl]phenyl]benzoic acid is sourced from PubChem (CID 159095994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).