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

C26H52F2O45P11-11 — CID 160649746

IUPAC[2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate
SMILESO=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-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCC(CO)CF
InChIInChI=1S/C26H63F2O45P11/c27-19-25(21-29)22-72-83(49,50)69-17-15-67-81(45,46)65-13-11-63-79(41,42)61-9-7-59-77(37,38)57-5-3-55-75(33,34)53-1-2-54-76(35,36)56-4-6-58-78(39,40)60-8-10-62-80(43,44)64-12-14-66-82(47,48)68-16-18-70-84(51,52)73-24-26(20-28)23-71-74(30,31)32/h25-26,29H,1-24H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H2,30,31,32)/p-11
InChIKeyRKGMVEMVOGUSMP-UHFFFAOYSA-C
MW1463.37 g/mol
LogP-5.36
Rot. Bonds57

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

[2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate (PubChem CID 160649746) has the molecular formula C26H52F2O45P11-11 and a molecular weight of 1463.37 g/mol. Its IUPAC name is [2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate.

Molecular Properties

Compound Name[2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate
PubChem CID160649746
Molecular FormulaC26H52F2O45P11-11
Molecular Weight1463.37 g/mol
Exact Mass1462.89
IUPAC Name[2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate
SMILESO=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-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCC(CO)CF
InChIInChI=1S/C26H63F2O45P11/c27-19-25(21-29)22-72-83(49,50)69-17-15-67-81(45,46)65-13-11-63-79(41,42)61-9-7-59-77(37,38)57-5-3-55-75(33,34)53-1-2-54-76(35,36)56-4-6-58-78(39,40)60-8-10-62-80(43,44)64-12-14-66-82(47,48)68-16-18-70-84(51,52)73-24-26(20-28)23-71-74(30,31)32/h25-26,29H,1-24H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H2,30,31,32)/p-11
InChIKeyRKGMVEMVOGUSMP-UHFFFAOYSA-C
XLogP-5.36
TPSA675.72 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds57
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001463.37
LogP ≤ 5-5.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze [2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate with MolForge

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Related Compounds

[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
[2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane
CID 159543312
[2-[[2-[2-[2-[[2-(hydroxymethyl)-3-(methylamino)propoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]-3-(methylamino)propyl] hydrogen phosphate;methane
CID 161451790
ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate
CID 159517888
octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate
CID 158353857
2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate;2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate
CID 158034703
2-[[2-[2-[2-[2-[2-[2-[2-[[ethoxy(oxido)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate;2-(hydroxymethyl)butyl hydrogen phosphate
CID 163663058
2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate;2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate
CID 159952667
2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate
CID 155648991
[2-[(fluoroamino)methyl]-3-[[2-[[hydroxy(oxido)phosphoryl]oxymethyl]-3-(methylamino)propoxy]-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane
CID 158164362
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990
2-[[2-[2-[[hydroxy(methyl)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-methylphosphinate;methane
CID 157261172

Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate?
The IUPAC name of [2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate (CID 160649746) is [2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate.
What is the SMILES notation for [2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate?
The canonical SMILES for [2-(fluoromethyl)-3-[2-[2-[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]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-])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-[2-[[2-(fluoromethyl)-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate?
The InChIKey is RKGMVEMVOGUSMP-UHFFFAOYSA-C. The full InChI is InChI=1S/C26H63F2O45P11/c27-19-25(21-29)22-72-83(49,50)69-17-15-67-81(45,46)65-13-11-63-79(41,42)61-9-7-59-77(37,38)57-5-3-55-75(33,34)53-1-2-54-76(35,36)56-4-6-58-78(39,40)60-8-10-62-80(43,44)64-12-14-66-82(47,48)68-16-18-70-84(51,52)73-24-26(20-28)23-71-74(30,31)32/h25-26,29H,1-24H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H2,30,31,32)/p-11.
What are the key properties of [2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate?
[2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate has a molecular weight of 1463.37 g/mol, XLogP of -5.36, 57 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)-3-[2-[2-[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]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate is sourced from PubChem (CID 160649746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).