PDB CCD ID: | IAN |
Number of entries in BioLiP: | 1 |
Chemical formula: | C9 H13 O4 P |
InChI: | InChI=1S/C9H13O4P/c1-12-9(14(10,11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,10,11)/t9-/m1/s1 |
InChIKey: | YPAATCUNRIAADK-SECBINFHSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | O=P(O)(OC)C(OC)c1ccccc1 | OpenEye OEToolkits 1.7.0 | COC(c1ccccc1)P(=O)(O)OC | CACTVS 3.370 | CO[C@@H](c1ccccc1)[P](O)(=O)OC | OpenEye OEToolkits 1.7.0 | CO[C@@H](c1ccccc1)[P@@](=O)(O)OC | CACTVS 3.370 | CO[CH](c1ccccc1)[P](O)(=O)OC |
|
Name: | methyl hydrogen (R)-[(R)-methoxy(phenyl)methyl]phosphonate |
ZINC: | ZINC000066156781 |