Disodium;dodecane;hydrogen phosphate;hydrate

C₁₂H₂₉Na₂O₅P — CID 172768251

About Disodium;dodecane;hydrogen phosphate;hydrate

Disodium;dodecane;hydrogen phosphate;hydrate (PubChem CID 172768251) has the molecular formula C₁₂H₂₉Na₂O₅P and a molecular weight of 330.31 g/mol. Its IUPAC name is disodium;dodecane;hydrogen phosphate;hydrate.

Molecular Properties

• Compound Name: Disodium;dodecane;hydrogen phosphate;hydrate
• PubChem CID: 172768251
• Molecular Formula: C₁₂H₂₉Na₂O₅P
• Molecular Weight: 330.31 g/mol
• Exact Mass: 330.15
• IUPAC Name: disodium;dodecane;hydrogen phosphate;hydrate
• SMILES: CCCCCCCCCCCC.O.O=P([O-])([O-])O.[Na+].[Na+]
• InChI: InChI=1S/C12H26.2Na.H3O4P.H2O/c1-3-5-7-9-11-12-10-8-6-4-2;;;1-5(2,3)4;/h3-12H2,1-2H3;;;(H3,1,2,3,4);1H2/q;2*+1;;/p-2
• InChIKey: MPJRJUCRYVVXDI-UHFFFAOYSA-L
• XLogP: -4.08
• TPSA: 114.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.31
LogP ≤ 5	-4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Disodium;dodecane;hydrogen phosphate;hydrate?

The IUPAC name of Disodium;dodecane;hydrogen phosphate;hydrate (CID 172768251) is disodium;dodecane;hydrogen phosphate;hydrate.

What is the SMILES notation for Disodium;dodecane;hydrogen phosphate;hydrate?

The canonical SMILES for Disodium;dodecane;hydrogen phosphate;hydrate is CCCCCCCCCCCC.O.O=P([O-])([O-])O.[Na+].[Na+].

What is the InChIKey of Disodium;dodecane;hydrogen phosphate;hydrate?

The InChIKey is MPJRJUCRYVVXDI-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H26.2Na.H3O4P.H2O/c1-3-5-7-9-11-12-10-8-6-4-2;;;1-5(2,3)4;/h3-12H2,1-2H3;;;(H3,1,2,3,4);1H2/q;2*+1;;/p-2.

What are the key properties of Disodium;dodecane;hydrogen phosphate;hydrate?

Disodium;dodecane;hydrogen phosphate;hydrate has a molecular weight of 330.31 g/mol, XLogP of -4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Disodium;dodecane;hydrogen phosphate;hydrate is sourced from PubChem (CID 172768251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 172768251 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.