Basic information
- CAS
25404-72-2- Standard SMILES
O=P(O)(O)CC(CP(=O)(O)O)P(=O)(O)O- InChIKey
SXGRAKNNKBAFML-UHFFFAOYSA-N- Molecular formula
- C3H11O9P3
- Average molar mass
- 284.04 g/mol
Overview
structure
Names & identifiers
- Preferred name
- Propane triphosphonate
- IUPAC
- 1,3-diphosphonopropan-2-ylphosphonic acid
Names & synonyms
Propane triphosphonate25404-72-2RefChem:176272Phosphonic acid, 1,2,3-propanetriyltris-1,3-diphosphonopropan-2-ylphosphonic AcidSCHEMBL2787248propane1,2,3-triphosphonic acidSXGRAKNNKBAFML-UHFFFAOYSA-N
Database identifiers
- CAS
25404-72-2- PubChem CID
- 4112705
- Nikkaji
- J3.562.615H
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Related reactions
1 records
Compound notes
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