Basic information
- CAS
15049-86-2- Standard SMILES
CCC([NH3+])(P(=O)([O-])[O-])P(=O)([O-])[O-]- InChIKey
PCTMREJZUSEOQD-UHFFFAOYSA-K- Molecular formula
- C3H8NO6P2-3
- Average molar mass
- 216.05 g/mol
- Monoisotopic mass
- 215.98268597
Names & identifiers
- Preferred name
- 1,1-Diphosphonatopropylazanium
- IUPAC
- 1,1-diphosphonatopropylazanium
Names & synonyms
1,1-diphosphonatopropylazaniumDTXSID90428390(1-Azaniumylpropane-1,1-diyl)bis(phosphonate)
Database identifiers
- CAS
15049-86-2- PubChem CID
- 7204833
- DTXSID
DTXSID90428390
Properties
Computed structural properties
- XLogP
- -6
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- -3
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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