tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate

C2H30Na4O26P2 — CID 172838951

IUPACtetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=C(O)O.O=C(O)O.O=P([O-])(O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2CH2O3.4Na.2H3O4P.12H2O/c2*2-1(3)4;;;;;2*1-5(2,3)4;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;2*(H3,1,2,3,4);12*1H2/q;;4*+1;;;;;;;;;;;;;;/p-4
InChIKeyWNOYGCXRHNPZCE-UHFFFAOYSA-J
MW624.14 g/mol
LogP-25.82
Rot. Bonds

About tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate

tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate (PubChem CID 172838951) has the molecular formula C2H30Na4O26P2 and a molecular weight of 624.14 g/mol. Its IUPAC name is tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate.

Molecular Properties

Compound Nametetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate
PubChem CID172838951
Molecular FormulaC2H30Na4O26P2
Molecular Weight624.14 g/mol
Exact Mass624.01
IUPAC Nametetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=C(O)O.O=C(O)O.O=P([O-])(O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2CH2O3.4Na.2H3O4P.12H2O/c2*2-1(3)4;;;;;2*1-5(2,3)4;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;2*(H3,1,2,3,4);12*1H2/q;;4*+1;;;;;;;;;;;;;;/p-4
InChIKeyWNOYGCXRHNPZCE-UHFFFAOYSA-J
XLogP-25.82
TPSA659.90 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.14
LogP ≤ 5-25.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;carbonic acid;iron(2+);phosphate
CID 175564930
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
CID 160530469
tricalcium;carbonic acid;diphosphate
CID 173377819
trisodium;hydrogen peroxide;phosphate
CID 161125728
sodium dihydroxy(32P)phosphinate
CID 23694678
trisodium;hydrogen carbonate;hydrogen phosphate;dodecahydrate
CID 171618246
lithium;dihydrogen phosphate;dihydrate
CID 162740177
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
disodium;dihydrogen phosphate;fluoride
CID 159057923
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
lithium;dihydrogen phosphate;hydrate
CID 162740181

Frequently Asked Questions

What is the IUPAC name of tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate?
The IUPAC name of tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate (CID 172838951) is tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate.
What is the SMILES notation for tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate?
The canonical SMILES for tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=C(O)O.O=C(O)O.O=P([O-])(O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate?
The InChIKey is WNOYGCXRHNPZCE-UHFFFAOYSA-J. The full InChI is InChI=1S/2CH2O3.4Na.2H3O4P.12H2O/c2*2-1(3)4;;;;;2*1-5(2,3)4;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;2*(H3,1,2,3,4);12*1H2/q;;4*+1;;;;;;;;;;;;;;/p-4.
What are the key properties of tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate?
tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate has a molecular weight of 624.14 g/mol, XLogP of -25.82, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate is sourced from PubChem (CID 172838951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).