About [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate
[(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate (PubChem CID 101063005) has the molecular formula C5H13O6P
and a molecular weight of 200.13 g/mol. Its IUPAC name is [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate.
Molecular Properties
| Compound Name | [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate |
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| PubChem CID | 101063005 |
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| Molecular Formula | C5H13O6P |
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| Molecular Weight | 200.13 g/mol |
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| Exact Mass | 200.04 |
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| IUPAC Name | [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate |
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| SMILES | CCOP(=O)(O)OC[C@H](O)CO |
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| InChI | InChI=1S/C5H13O6P/c1-2-10-12(8,9)11-4-5(7)3-6/h5-7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 |
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| InChIKey | DXARXEBAXKHIOU-RXMQYKEDSA-N |
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| XLogP | -0.51 |
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| TPSA | 96.22 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 200.13 |
| LogP ≤ 5 | -0.51 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate?
The IUPAC name of [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate (CID 101063005) is [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate.
What is the SMILES notation for [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate?
The canonical SMILES for [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate is CCOP(=O)(O)OC[C@H](O)CO.
What is the InChIKey of [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate?
The InChIKey is DXARXEBAXKHIOU-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13O6P/c1-2-10-12(8,9)11-4-5(7)3-6/h5-7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate?
[(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate has a molecular weight of 200.13 g/mol, XLogP of -0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydroxypropyl] ethyl hydrogen phosphate is sourced from PubChem (CID 101063005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).