[2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate

C22H44F2O37P9-9 — CID 158524310

About [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate

[2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate (PubChem CID 158524310) has the molecular formula C22H44F2O37P9-9 and a molecular weight of 1217.32 g/mol. Its IUPAC name is [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate.

Molecular Properties

• Compound Name: [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate
• PubChem CID: 158524310
• Molecular Formula: C22H44F2O37P9-9
• Molecular Weight: 1217.32 g/mol
• Exact Mass: 1216.92
• IUPAC Name: [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate
• SMILES: O=P([O-])(O)OCC(CF)COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCC(CO)CF
• InChI: InChI=1S/C22H53F2O37P9/c23-15-21(17-25)18-60-69(41,42)57-13-11-55-67(37,38)53-9-7-51-65(33,34)49-5-3-47-63(29,30)45-1-2-46-64(31,32)48-4-6-50-66(35,36)52-8-10-54-68(39,40)56-12-14-58-70(43,44)61-20-22(16-24)19-59-62(26,27)28/h21-22,25H,1-20H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,26,27,28)/p-9
• InChIKey: HMPGBALRTXQKKA-UHFFFAOYSA-E
• XLogP: -4.36
• TPSA: 558.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 47
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1217.32
LogP ≤ 5	-4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate?

The IUPAC name of [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate (CID 158524310) is [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate.

What is the SMILES notation for [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate?

The canonical SMILES for [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate is O=P([O-])(O)OCC(CF)COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCC(CO)CF.

What is the InChIKey of [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate?

The InChIKey is HMPGBALRTXQKKA-UHFFFAOYSA-E. The full InChI is InChI=1S/C22H53F2O37P9/c23-15-21(17-25)18-60-69(41,42)57-13-11-55-67(37,38)53-9-7-51-65(33,34)49-5-3-47-63(29,30)45-1-2-46-64(31,32)48-4-6-50-66(35,36)52-8-10-54-68(39,40)56-12-14-58-70(43,44)61-20-22(16-24)19-59-62(26,27)28/h21-22,25H,1-20H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,26,27,28)/p-9.

What are the key properties of [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate?

[2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate has a molecular weight of 1217.32 g/mol, XLogP of -4.36, 47 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(fluoromethyl)-3-[2-[2-[2-[2-[2-[2-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate is sourced from PubChem (CID 158524310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).