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DPF : Summary
Code
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DPF
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One-letter code
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X
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Molecule name
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DIETHYL HYDROGEN PHOSPHATE
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Systematic names
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Formula
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C4 H11 O4 P
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Formal charge
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0
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Molecular weight
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154.102 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(OCC)OCC |
SMILES
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CACTVS |
3.341 |
CCO[P](O)(=O)OCC |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCOP(=O)(O)OCC |
Canonical SMILES
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CACTVS |
3.341 |
CCO[P](O)(=O)OCC |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCOP(=O)(O)OCC |
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IUPAC InChI | InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6) |
IUPAC InChI key | UCQFCFPECQILOL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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20 (9 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2007-08-30
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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