Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester
Basic information
- CAS
5580-61-0- Standard SMILES
CCOC(=O)N(CC(=O)OC)CP(=O)(OCC)OCC- InChIKey
BDPSXEYOTHCACM-UHFFFAOYSA-N- Molecular formula
- C11H22NO7P
- Average molar mass
- 311.27 g/mol
- Monoisotopic mass
- 311.11338904
Names & identifiers
- Preferred name
- Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester
- IUPAC
- methyl 2-[diethoxyphosphorylmethyl(ethoxycarbonyl)amino]acetate
Names & synonyms
5580-61-0methyl n-[(diethoxyphosphoryl)methyl]-n-(ethoxycarbonyl)glycinateCBMicro_000365Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl esterDTXSID60971202BDPSXEYOTHCACM-UHFFFAOYSA-NSMSF0006322CB01558BIM-0000331.P001Methyl [[(diethoxyphosphoryl)methyl](ethoxycarbonyl)amino]acetate #
Database identifiers
- CAS
5580-61-0- PubChem CID
- 535952
- DTXSID
DTXSID60971202
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
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Compound notes
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