disodium;hydrogen phosphate;phosphoric acid;dodecahydrate

H28Na2O20P2 — CID 174809343

IUPACdisodium;hydrogen phosphate;phosphoric acid;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/2Na.2H3O4P.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;;2*(H3,1,2,3,4);12*1H2/q2*+1;;;;;;;;;;;;;;/p-2
InChIKeyFTYWERPCRQACCQ-UHFFFAOYSA-L
MW456.13 g/mol
LogP-19.01
Rot. Bonds

About disodium;hydrogen phosphate;phosphoric acid;dodecahydrate

disodium;hydrogen phosphate;phosphoric acid;dodecahydrate (PubChem CID 174809343) has the molecular formula H28Na2O20P2 and a molecular weight of 456.13 g/mol. Its IUPAC name is disodium;hydrogen phosphate;phosphoric acid;dodecahydrate.

Molecular Properties

Compound Namedisodium;hydrogen phosphate;phosphoric acid;dodecahydrate
PubChem CID174809343
Molecular FormulaH28Na2O20P2
Molecular Weight456.13 g/mol
Exact Mass456.04
IUPAC Namedisodium;hydrogen phosphate;phosphoric acid;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/2Na.2H3O4P.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;;2*(H3,1,2,3,4);12*1H2/q2*+1;;;;;;;;;;;;;;/p-2
InChIKeyFTYWERPCRQACCQ-UHFFFAOYSA-L
XLogP-19.01
TPSA539.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 5-19.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydrogen phosphate;dodecahydrate
CID 18980410
azanium;sodium;hydrogen phosphate;tetrahydrate
CID 56924540
sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
CID 160530469
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659
aluminum;sodium;hydrogen phosphate;hydrate
CID 138394889
trisodium;phosphoric acid;phosphate
CID 172853200
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
trisodium;hydrogen phosphate;methanolate
CID 174908769
magnesium;hydrogen phosphate;phosphoric acid;silane
CID 174263841
calcium;sodium;phosphoric acid;phosphate
CID 173179477
dipotassium;trisodium;hydrogen phosphate;phosphate
CID 22665013

Frequently Asked Questions

What is the IUPAC name of disodium;hydrogen phosphate;phosphoric acid;dodecahydrate?
The IUPAC name of disodium;hydrogen phosphate;phosphoric acid;dodecahydrate (CID 174809343) is disodium;hydrogen phosphate;phosphoric acid;dodecahydrate.
What is the SMILES notation for disodium;hydrogen phosphate;phosphoric acid;dodecahydrate?
The canonical SMILES for disodium;hydrogen phosphate;phosphoric acid;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.O=P([O-])([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;hydrogen phosphate;phosphoric acid;dodecahydrate?
The InChIKey is FTYWERPCRQACCQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.2H3O4P.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;;2*(H3,1,2,3,4);12*1H2/q2*+1;;;;;;;;;;;;;;/p-2.
What are the key properties of disodium;hydrogen phosphate;phosphoric acid;dodecahydrate?
disodium;hydrogen phosphate;phosphoric acid;dodecahydrate has a molecular weight of 456.13 g/mol, XLogP of -19.01, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydrogen phosphate;phosphoric acid;dodecahydrate is sourced from PubChem (CID 174809343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).