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GD7 : Summary
Code
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GD7
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One-letter code
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X
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Molecule name
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(1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE
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Systematic names
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Formula
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C7 H17 O2 P
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Formal charge
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0
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Molecular weight
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164.182 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(OC(C)C(C)(C)C)C |
SMILES
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CACTVS |
3.341 |
C[CH](O[PH](C)=O)C(C)(C)C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C(C)(C)C)OP(=O)C |
Canonical SMILES
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CACTVS |
3.341 |
C[C@@H](O[P@H](C)=O)C(C)(C)C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@H](C(C)(C)C)O[P@@H](=O)C |
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IUPAC InChI | InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1 |
IUPAC InChI key | QZUGWOMGKDLYKO-ZCFIWIBFSA-N |
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wwPDB Information |
Atom count
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27 (10 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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2006-07-27
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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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