| SpectraBase Spectrum ID |
2FqC47CpHFB |
| Name |
Trimethyl phosphonoacetate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
51298-31-8
5927-18-4 |
| Comments |
100 mM trimethyl phosphonoacetate - vendor: Acros 140230250; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C5H11O5P |
| IUPAC Name |
2-dimethoxyphosphorylacetic acid methyl ester; methyl 2-dimethoxyphosphorylethanoate; methyl 2-dimethoxyphosphorylacetate |
| InChI |
InChI=1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3 |
| InChIKey |
SIGOIUCRXKUEIG-UHFFFAOYSA-N |
| PubChem Compound ID |
80029 |
| SMILES |
COC(=O)CP(=O)(OC)OC |
| Source File Reference |
bmse000156 |
