disodium;butanedioic acid;hydrogen phosphate;phosphoric acid

C4H10Na2O12P2 — CID 160584781

IUPACdisodium;butanedioic acid;hydrogen phosphate;phosphoric acid
SMILESO=C(O)CCC(=O)O.O=P(O)(O)O.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/C4H6O4.2Na.2H3O4P/c5-3(6)1-2-4(7)8;;;2*1-5(2,3)4/h1-2H2,(H,5,6)(H,7,8);;;2*(H3,1,2,3,4)/q;2*+1;;/p-2
InChIKeyRCGFQUVFHXGLKH-UHFFFAOYSA-L
MW358.04 g/mol
LogP-9.18
Rot. Bonds3

About disodium;butanedioic acid;hydrogen phosphate;phosphoric acid

disodium;butanedioic acid;hydrogen phosphate;phosphoric acid (PubChem CID 160584781) has the molecular formula C4H10Na2O12P2 and a molecular weight of 358.04 g/mol. Its IUPAC name is disodium;butanedioic acid;hydrogen phosphate;phosphoric acid.

Molecular Properties

Compound Namedisodium;butanedioic acid;hydrogen phosphate;phosphoric acid
PubChem CID160584781
Molecular FormulaC4H10Na2O12P2
Molecular Weight358.04 g/mol
Exact Mass357.94
IUPAC Namedisodium;butanedioic acid;hydrogen phosphate;phosphoric acid
SMILESO=C(O)CCC(=O)O.O=P(O)(O)O.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/C4H6O4.2Na.2H3O4P/c5-3(6)1-2-4(7)8;;;2*1-5(2,3)4/h1-2H2,(H,5,6)(H,7,8);;;2*(H3,1,2,3,4)/q;2*+1;;/p-2
InChIKeyRCGFQUVFHXGLKH-UHFFFAOYSA-L
XLogP-9.18
TPSA235.78 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.04
LogP ≤ 5-9.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trisodium;butanedioic acid
CID 175698490
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659
disodium;hydrogen phosphate;phosphoric acid;dodecahydrate
CID 174809343
trisodium;hydrogen carbonate;hydrogen phosphate;dodecahydrate
CID 171618246
disodium;butanedioic acid;hexanedioate
CID 163708561
sodium;butanedioic acid;hydride;trihydrate
CID 173259329
sodium;butanedioic acid;hydride;iron
CID 173304011
sodium;dihydrogen phosphate;octanoic acid
CID 172803053
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
bis(butanedioic acid);carbonic acid
CID 159577506
trisodium;phosphoric acid;phosphate
CID 172853200

Frequently Asked Questions

What is the IUPAC name of disodium;butanedioic acid;hydrogen phosphate;phosphoric acid?
The IUPAC name of disodium;butanedioic acid;hydrogen phosphate;phosphoric acid (CID 160584781) is disodium;butanedioic acid;hydrogen phosphate;phosphoric acid.
What is the SMILES notation for disodium;butanedioic acid;hydrogen phosphate;phosphoric acid?
The canonical SMILES for disodium;butanedioic acid;hydrogen phosphate;phosphoric acid is O=C(O)CCC(=O)O.O=P(O)(O)O.O=P([O-])([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;butanedioic acid;hydrogen phosphate;phosphoric acid?
The InChIKey is RCGFQUVFHXGLKH-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O4.2Na.2H3O4P/c5-3(6)1-2-4(7)8;;;2*1-5(2,3)4/h1-2H2,(H,5,6)(H,7,8);;;2*(H3,1,2,3,4)/q;2*+1;;/p-2.
What are the key properties of disodium;butanedioic acid;hydrogen phosphate;phosphoric acid?
disodium;butanedioic acid;hydrogen phosphate;phosphoric acid has a molecular weight of 358.04 g/mol, XLogP of -9.18, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;butanedioic acid;hydrogen phosphate;phosphoric acid is sourced from PubChem (CID 160584781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).