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1PG : Summary
Code
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1PG
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One-letter code
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X
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Molecule name
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2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
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Systematic names
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Formula
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C11 H24 O6
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Formal charge
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0
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Molecular weight
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252.305 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O(CCO)CCOCCOCCOCCOC |
SMILES
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CACTVS |
3.341 |
COCCOCCOCCOCCOCCO |
SMILES
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OpenEye OEToolkits |
1.5.0 |
COCCOCCOCCOCCOCCO |
Canonical SMILES
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CACTVS |
3.341 |
COCCOCCOCCOCCOCCO |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
COCCOCCOCCOCCOCCO |
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IUPAC InChI | InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3 |
IUPAC InChI key | SLNYBUIEAMRFSZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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41 (17 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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1999-07-08
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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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