tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate

H5Na4O12P3 — CID 19757615

IUPACtetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])([O-])O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4Na.3H3O4P/c;;;;3*1-5(2,3)4/h;;;;3*(H3,1,2,3,4)/q4*+1;;;/p-4
InChIKeyANRNLBDTVWXWFQ-UHFFFAOYSA-J
MW381.91 g/mol
LogP-17.30
Rot. Bonds

About tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate

tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate (PubChem CID 19757615) has the molecular formula H5Na4O12P3 and a molecular weight of 381.91 g/mol. Its IUPAC name is tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate.

Molecular Properties

Compound Nametetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
PubChem CID19757615
Molecular FormulaH5Na4O12P3
Molecular Weight381.91 g/mol
Exact Mass381.86
IUPAC Nametetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])([O-])O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4Na.3H3O4P/c;;;;3*1-5(2,3)4/h;;;;3*(H3,1,2,3,4)/q4*+1;;;/p-4
InChIKeyANRNLBDTVWXWFQ-UHFFFAOYSA-J
XLogP-17.30
TPSA244.60 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 5-17.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate?
The IUPAC name of tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate (CID 19757615) is tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate.
What is the SMILES notation for tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate?
The canonical SMILES for tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate is O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])([O-])O.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate?
The InChIKey is ANRNLBDTVWXWFQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4Na.3H3O4P/c;;;;3*1-5(2,3)4/h;;;;3*(H3,1,2,3,4)/q4*+1;;;/p-4.
What are the key properties of tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate?
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate has a molecular weight of 381.91 g/mol, XLogP of -17.30, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate is sourced from PubChem (CID 19757615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).