(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane

C56H75FNO9P3Si — CID 90984927

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane (PubChem CID 90984927) has the molecular formula C56H75FNO9P3Si and a molecular weight of 1046.22 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane.

Molecular Properties

• Compound Name: (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane
• PubChem CID: 90984927
• Molecular Formula: C56H75FNO9P3Si
• Molecular Weight: 1046.22 g/mol
• Exact Mass: 1045.44
• IUPAC Name: (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane
• SMILES: C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@H](CC(=O)O)CP(C)(C)=O.CC(C)n1c(C=O)c(-c2ccc(F)cc2)c2ccccc21.COC(=O)C[C@@H](O)CP(C)(C)=O
• InChI: InChI=1S/C19H17P.C18H16FNO.C12H27O4PSi.C7H15O4P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-12(2)20-16-6-4-3-5-15(16)18(17(20)11-21)13-7-9-14(19)10-8-13;1-12(2,3)18(6,7)16-10(8-11(13)14)9-17(4,5)15;1-11-7(9)4-6(8)5-12(2,3)10/h2-16H,1H2;3-12H,1-2H3;10H,8-9H2,1-7H3,(H,13,14);6,8H,4-5H2,1-3H3/t;;10-;6-/m..11/s1
• InChIKey: PWGYYKVZJUNQBP-VUCSXSBLSA-N
• XLogP: 12.26
• TPSA: 149.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.22
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane?

The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane (CID 90984927) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane.

What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane?

The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane is C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@H](CC(=O)O)CP(C)(C)=O.CC(C)n1c(C=O)c(-c2ccc(F)cc2)c2ccccc21.COC(=O)C[C@@H](O)CP(C)(C)=O.

What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane?

The InChIKey is PWGYYKVZJUNQBP-VUCSXSBLSA-N. The full InChI is InChI=1S/C19H17P.C18H16FNO.C12H27O4PSi.C7H15O4P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-12(2)20-16-6-4-3-5-15(16)18(17(20)11-21)13-7-9-14(19)10-8-13;1-12(2,3)18(6,7)16-10(8-11(13)14)9-17(4,5)15;1-11-7(9)4-6(8)5-12(2,3)10/h2-16H,1H2;3-12H,1-2H3;10H,8-9H2,1-7H3,(H,13,14);6,8H,4-5H2,1-3H3/t;;10-;6-/m..11/s1.

What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane?

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane has a molecular weight of 1046.22 g/mol, XLogP of 12.26, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methylidene(triphenyl)-λ5-phosphane is sourced from PubChem (CID 90984927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).