Tetrasodium 3-(phosphonatooxy)pentane-1,5-diol 3-(phosphonatooxy)propane-1,2-diol

HCID 13170

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Basic information

CAS: 24634-60-4
Standard SMILES: O=P([O-])([O-])OC(CCO)CCO.O=P([O-])([O-])OCC(O)CO.[Na+].[Na+].[Na+].[Na+]
InChIKey: WENPEHSLKZUZKX-UHFFFAOYSA-J
Molecular formula: C8H18Na4O12P2
Average molar mass: 460.13 g/mol
Monoisotopic mass: 459.98642713

Names & identifiers

Preferred name: Tetrasodium 3-(phosphonatooxy)pentane-1,5-diol 3-(phosphonatooxy)propane-1,2-diol
IUPAC: tetrasodium;1,5-dihydroxypentan-3-yl phosphate;2,3-dihydroxypropyl phosphate

Names & synonyms

24634-60-4SCHEMBL3906358DTXSID80274525WENPEHSLKZUZKX-UHFFFAOYSA-JQ17024781Sodium 1,5-dihydroxypentan-3-yl phosphate 2,3-dihydroxypropyl phosphate (4/1/1)tetrasodium 3-(phosphonatooxy)pentane-1,5-diol 3-(phosphonatooxy)propane-1,2-diol

Database identifiers

CAS: 24634-60-4
PubChem CID: 13170
DTXSID: DTXSID80274525

Properties

Computed structural properties

Topological polar surface area: 226 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 12
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 254

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