2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate

C22H54F3N3O32P8 — CID 174163746

About 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate

2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate (PubChem CID 174163746) has the molecular formula C22H54F3N3O32P8 and a molecular weight of 1177.45 g/mol. Its IUPAC name is 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate
• PubChem CID: 174163746
• Molecular Formula: C22H54F3N3O32P8
• Molecular Weight: 1177.45 g/mol
• Exact Mass: 1177.05
• IUPAC Name: 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate
• SMILES: CC(CNF)COP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCC(CNF)COP(=O)(O)OCCOP(=O)(O)OCC(CNF)COP(=O)(O)O
• InChI: InChI=1S/C22H54F3N3O32P8/c1-20(12-26-23)15-57-65(38,39)52-8-6-50-63(34,35)48-4-2-46-62(32,33)47-3-5-49-64(36,37)51-7-9-53-67(42,43)59-18-22(14-28-25)19-60-68(44,45)55-11-10-54-66(40,41)58-17-21(13-27-24)16-56-61(29,30)31/h20-22,26-28H,2-19H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,30,31)
• InChIKey: KUPFYEYNOLCSGH-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 493.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 46
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1177.45
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate?

The IUPAC name of 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate (CID 174163746) is 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate.

What is the SMILES notation for 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate?

The canonical SMILES for 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate is CC(CNF)COP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCC(CNF)COP(=O)(O)OCCOP(=O)(O)OCC(CNF)COP(=O)(O)O.

What is the InChIKey of 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate?

The InChIKey is KUPFYEYNOLCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H54F3N3O32P8/c1-20(12-26-23)15-57-65(38,39)52-8-6-50-63(34,35)48-4-2-46-62(32,33)47-3-5-49-64(36,37)51-7-9-53-67(42,43)59-18-22(14-28-25)19-60-68(44,45)55-11-10-54-66(40,41)58-17-21(13-27-24)16-56-61(29,30)31/h20-22,26-28H,2-19H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,30,31).

What are the key properties of 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate?

2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate has a molecular weight of 1177.45 g/mol, XLogP of 1.32, 46 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate is sourced from PubChem (CID 174163746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).