(2s)-2-(Phosphonomethyl)pentanedioic Acid
Basic information
- CAS
473251-81-9- Standard SMILES
O=C(O)CC[C@H](CP(=O)(O)O)C(=O)O- InChIKey
ISEYJGQFXSTPMQ-SCSAIBSYSA-N- Molecular formula
- C6H11O7P
- Average molar mass
- 226.12 g/mol
- Monoisotopic mass
- 226.02423968
Names & identifiers
- Preferred name
- (2s)-2-(Phosphonomethyl)pentanedioic Acid
- IUPAC
- (2S)-2-(phosphonomethyl)pentanedioic acid
Names & synonyms
(2s)-2-(Phosphonomethyl)pentanedioic AcidKYW3RS2DJY2-PMPA, (2S)-UNII-KYW3RS2DJY473251-81-9Pentanedioic acid, 2-(phosphonomethyl)-, (2S)-G88(S)-2-PMPACHEMBL189217SCHEMBL16528808BDBM17759Q27460594
Database identifiers
- CAS
473251-81-9- PubChem CID
- 11085481
- ChEMBL
CHEMBL189217- UNII
- KYW3RS2DJY
- Nikkaji
- J1.812.679F
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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