Methylphosphate
PubChem CID: 13130
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| Compound Synonyms | Methyl dihydrogen phosphate, Methylphosphate, Monomethyl phosphate, O-Methyl phosphate, 812-00-0, Dihydrogen methyl phosphate, Phosphoric acid, monomethyl ester, Monomethyl dihydrogen phosphate, Monomethylphosphate, Methyl phosphate, (MeO)(HO)2PO, Phosphoric acid monomethyl ester, methanolphosphate, CHEBI:340824, EINECS 212-379-1, NSC 41908, BRN 1701224, 12789-45-6, 4-01-00-01258 (Beilstein Handbook Reference), Methyl phosphate ((MeO)(HO)2PO), NSC-41908, Methyl phosphate ((CH3O)(HO)2PO), Monomethylphophate, methanol-phosphate, MFCD00015936, O-METHYLPHOSPHATE, Epitope ID:150903, METHYL ACID PHOSPHATE, SCHEMBL19942, METHYL PHOSPHORIC ACID, 7C7GH393JL, CHEMBL344340, DTXSID2025684, METHYL ORTHOPHOSPHORIC ACID, NSC41908, NS00019499, B1B92FE0-7CC2-45F3-94D3-DA8B65F81BEB, Q23993898, 212-379-1 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.6 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl dihydrogen phosphate |
| Prediction Hob | 0.0 |
| Xlogp | -1.6 |
| Molecular Formula | CH5O4P |
| Prediction Swissadme | 0.0 |
| Inchi Key | CAAULPUQFIIOTL-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.938 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.211 |
| Compound Name | Methylphosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 111.993 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 111.993 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 112.02 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.5079698000000004 |
| Inchi | InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4) |
| Smiles | COP(=O)(O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chlamydomonas Reinhardtii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all