sodium;tris(dihydrogen phosphate);hydron;phosphoric acid

H11NaO16P4 — CID 173335984

IUPACsodium;tris(dihydrogen phosphate);hydron;phosphoric acid
SMILESO=P(O)(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[H+].[H+].[Na+]
InChIInChI=1S/Na.4H3O4P/c;4*1-5(2,3)4/h;4*(H3,1,2,3,4)/q+1;;;;/p-1
InChIKeyZNEGGVZWRSYKAG-UHFFFAOYSA-M
MW413.96 g/mol
LogP-8.38
Rot. Bonds

About sodium;tris(dihydrogen phosphate);hydron;phosphoric acid

sodium;tris(dihydrogen phosphate);hydron;phosphoric acid (PubChem CID 173335984) has the molecular formula H11NaO16P4 and a molecular weight of 413.96 g/mol. Its IUPAC name is sodium;tris(dihydrogen phosphate);hydron;phosphoric acid.

Molecular Properties

Compound Namesodium;tris(dihydrogen phosphate);hydron;phosphoric acid
PubChem CID173335984
Molecular FormulaH11NaO16P4
Molecular Weight413.96 g/mol
Exact Mass413.89
IUPAC Namesodium;tris(dihydrogen phosphate);hydron;phosphoric acid
SMILESO=P(O)(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[H+].[H+].[Na+]
InChIInChI=1S/Na.4H3O4P/c;4*1-5(2,3)4/h;4*(H3,1,2,3,4)/q+1;;;;/p-1
InChIKeyZNEGGVZWRSYKAG-UHFFFAOYSA-M
XLogP-8.38
TPSA319.53 Ų
H-Bond Donors9
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.96
LogP ≤ 5-8.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
CID 160530469
sodium dihydroxy(32P)phosphinate
CID 23694678
potassium;disodium;dihydrogen phosphate;phosphoric acid;dihydroxide
CID 159576938
trisodium;phosphoric acid;phosphate
CID 172853200
disodium;dihydrogen phosphate;hydride
CID 160585046
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
disodium;dihydrogen phosphate;fluoride
CID 159057923
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
azane;dihydrogen phosphate;hydron
CID 172995707
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659
dipotassium;sodium;bis(dihydrogen phosphate);chloride
CID 161050974

Frequently Asked Questions

What is the IUPAC name of sodium;tris(dihydrogen phosphate);hydron;phosphoric acid?
The IUPAC name of sodium;tris(dihydrogen phosphate);hydron;phosphoric acid (CID 173335984) is sodium;tris(dihydrogen phosphate);hydron;phosphoric acid.
What is the SMILES notation for sodium;tris(dihydrogen phosphate);hydron;phosphoric acid?
The canonical SMILES for sodium;tris(dihydrogen phosphate);hydron;phosphoric acid is O=P(O)(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[H+].[H+].[Na+].
What is the InChIKey of sodium;tris(dihydrogen phosphate);hydron;phosphoric acid?
The InChIKey is ZNEGGVZWRSYKAG-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.4H3O4P/c;4*1-5(2,3)4/h;4*(H3,1,2,3,4)/q+1;;;;/p-1.
What are the key properties of sodium;tris(dihydrogen phosphate);hydron;phosphoric acid?
sodium;tris(dihydrogen phosphate);hydron;phosphoric acid has a molecular weight of 413.96 g/mol, XLogP of -8.38, 0 rotatable bonds, 9 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tris(dihydrogen phosphate);hydron;phosphoric acid is sourced from PubChem (CID 173335984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).