({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid)

HCID 405404

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Basic information

CAS: 126104-92-5
Standard SMILES: O=P(O)(O)C(NCC1CCCO1)P(=O)(O)O
InChIKey: VGQJHYWSFMLJCW-UHFFFAOYSA-N
Molecular formula: C6H15NO7P2
Average molar mass: 275.13 g/mol
Monoisotopic mass: 275.03237581

Names & identifiers

Preferred name: ({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid)
IUPAC: [(oxolan-2-ylmethylamino)-phosphonomethyl]phosphonic acid

Names & synonyms

126104-92-5NSC722630DTXSID80328072({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid)NSC-722630[[[(tetrahydro-2-furanyl)methyl]amino]methylene]-1,1-bisphos phonate

Database identifiers

CAS: 126104-92-5
PubChem CID: 405404
DTXSID: DTXSID80328072

Properties

Computed structural properties

XLogP: -5.5
Topological polar surface area: 136 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 301

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