About [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate
[(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate (PubChem CID 18611200) has the molecular formula C67H88NO7P
and a molecular weight of 1050.42 g/mol. Its IUPAC name is [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate.
Molecular Properties
| Compound Name | [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate |
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| PubChem CID | 18611200 |
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| Molecular Formula | C67H88NO7P |
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| Molecular Weight | 1050.42 g/mol |
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| Exact Mass | 1049.63 |
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| IUPAC Name | [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate |
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| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)COP(=O)(O)OCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C67H88NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-40-53-65(69)75-64(56-72-67(61-47-34-25-35-48-61,62-49-36-26-37-50-62)63-51-38-27-39-52-63)57-74-76(70,71)73-55-54-68-66(58-41-28-22-29-42-58,59-43-30-23-31-44-59)60-45-32-24-33-46-60/h22-39,41-52,64,68H,2-21,40,53-57H2,1H3,(H,70,71)/t64-/m1/s1 |
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| InChIKey | FAYPYXKCVRKSGR-YBWOAVOSSA-N |
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| XLogP | 17.22 |
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| TPSA | 103.32 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 40 |
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| Heavy Atoms | 76 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1050.42 |
| LogP ≤ 5 | 17.22 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate?
The IUPAC name of [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate (CID 18611200) is [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate.
What is the SMILES notation for [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate?
The canonical SMILES for [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate is CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)COP(=O)(O)OCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate?
The InChIKey is FAYPYXKCVRKSGR-YBWOAVOSSA-N. The full InChI is InChI=1S/C67H88NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-40-53-65(69)75-64(56-72-67(61-47-34-25-35-48-61,62-49-36-26-37-50-62)63-51-38-27-39-52-63)57-74-76(70,71)73-55-54-68-66(58-41-28-22-29-42-58,59-43-30-23-31-44-59)60-45-32-24-33-46-60/h22-39,41-52,64,68H,2-21,40,53-57H2,1H3,(H,70,71)/t64-/m1/s1.
What are the key properties of [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate?
[(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate has a molecular weight of 1050.42 g/mol, XLogP of 17.22, 40 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] tetracosanoate is sourced from PubChem (CID 18611200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).