sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate

C2H5NaO7P2Zn — CID 155680858

IUPACsodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate
SMILESO=P([O-])([O-])C(CO)P(=O)([O-])O.[Na+].[Zn+2]
InChIInChI=1S/C2H8O7P2.Na.Zn/c3-1-2(10(4,5)6)11(7,8)9;;/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9);;/q;+1;+2/p-3
InChIKeyQUQQGJUAWWRFJE-UHFFFAOYSA-K
MW291.38 g/mol
LogP-6.23
Rot. Bonds3

About sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate

sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate (PubChem CID 155680858) has the molecular formula C2H5NaO7P2Zn and a molecular weight of 291.38 g/mol. Its IUPAC name is sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate.

Molecular Properties

Compound Namesodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate
PubChem CID155680858
Molecular FormulaC2H5NaO7P2Zn
Molecular Weight291.38 g/mol
Exact Mass289.87
IUPAC Namesodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate
SMILESO=P([O-])([O-])C(CO)P(=O)([O-])O.[Na+].[Zn+2]
InChIInChI=1S/C2H8O7P2.Na.Zn/c3-1-2(10(4,5)6)11(7,8)9;;/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9);;/q;+1;+2/p-3
InChIKeyQUQQGJUAWWRFJE-UHFFFAOYSA-K
XLogP-6.23
TPSA143.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 5-6.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 175948517
CID 175948517
dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
zinc bis(dihydrogen phosphate)
CID 11253952
sodium dihydroxy(32P)phosphinate
CID 23694678
disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate
CID 172694336
CID 59034091
CID 59034091
sodium 1,3-dihydroxypropan-2-yl phosphate
CID 19940238
disodium;dihydrogen phosphate;fluoride
CID 159057923
disodium;dihydrogen phosphate;hydride
CID 160585046
trisodium;phosphoric acid;phosphate
CID 172853200
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
zinc;dihydrogen phosphate;fluoride
CID 160735585

Frequently Asked Questions

What is the IUPAC name of sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate?
The IUPAC name of sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate (CID 155680858) is sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate.
What is the SMILES notation for sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate?
The canonical SMILES for sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate is O=P([O-])([O-])C(CO)P(=O)([O-])O.[Na+].[Zn+2].
What is the InChIKey of sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate?
The InChIKey is QUQQGJUAWWRFJE-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H8O7P2.Na.Zn/c3-1-2(10(4,5)6)11(7,8)9;;/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9);;/q;+1;+2/p-3.
What are the key properties of sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate?
sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate has a molecular weight of 291.38 g/mol, XLogP of -6.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate is sourced from PubChem (CID 155680858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).