fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid

C21H42FO15P — CID 90989384

About fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid

fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid (PubChem CID 90989384) has the molecular formula C21H42FO15P and a molecular weight of 584.52 g/mol. Its IUPAC name is fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid
• PubChem CID: 90989384
• Molecular Formula: C21H42FO15P
• Molecular Weight: 584.52 g/mol
• Exact Mass: 584.22
• IUPAC Name: fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid
• SMILES: COC(CO)OCC(CO)OC(CO)OCC(COC(=O)CCC(=O)O)OC(CO)OCC(C)CO.FP
• InChI: InChI=1S/C21H40O15.FH2P/c1-14(5-22)10-32-20(8-25)36-16(12-31-18(29)4-3-17(27)28)13-34-21(9-26)35-15(6-23)11-33-19(7-24)30-2;1-2/h14-16,19-26H,3-13H2,1-2H3,(H,27,28);2H2
• InChIKey: DPECHEVAMNJAME-UHFFFAOYSA-N
• XLogP: -1.82
• TPSA: 220.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	584.52
LogP ≤ 5	-1.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid?

The IUPAC name of fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid (CID 90989384) is fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid.

What is the SMILES notation for fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid?

The canonical SMILES for fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid is COC(CO)OCC(CO)OC(CO)OCC(COC(=O)CCC(=O)O)OC(CO)OCC(C)CO.FP.

What is the InChIKey of fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid?

The InChIKey is DPECHEVAMNJAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O15.FH2P/c1-14(5-22)10-32-20(8-25)36-16(12-31-18(29)4-3-17(27)28)13-34-21(9-26)35-15(6-23)11-33-19(7-24)30-2;1-2/h14-16,19-26H,3-13H2,1-2H3,(H,27,28);2H2.

What are the key properties of fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid?

fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid has a molecular weight of 584.52 g/mol, XLogP of -1.82, 24 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid is sourced from PubChem (CID 90989384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).