sodium;phosphoric acid;tridecane

C13H30NaO4P — CID 162219181

IUPACsodium;phosphoric acid;tridecane
SMILESO=P(O)(O)O.[CH2-]CCCCCCCCCCCC.[Na+]
InChIInChI=1S/C13H27.Na.H3O4P/c1-3-5-7-9-11-13-12-10-8-6-4-2;;1-5(2,3)4/h1,3-13H2,2H3;;(H3,1,2,3,4)/q-1;+1;
InChIKeyDRHYPFNENQMMMB-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.21
Rot. Bonds10

About sodium;phosphoric acid;tridecane

sodium;phosphoric acid;tridecane (PubChem CID 162219181) has the molecular formula C13H30NaO4P and a molecular weight of 304.34 g/mol. Its IUPAC name is sodium;phosphoric acid;tridecane.

Molecular Properties

Compound Namesodium;phosphoric acid;tridecane
PubChem CID162219181
Molecular FormulaC13H30NaO4P
Molecular Weight304.34 g/mol
Exact Mass304.18
IUPAC Namesodium;phosphoric acid;tridecane
SMILESO=P(O)(O)O.[CH2-]CCCCCCCCCCCC.[Na+]
InChIInChI=1S/C13H27.Na.H3O4P/c1-3-5-7-9-11-13-12-10-8-6-4-2;;1-5(2,3)4/h1,3-13H2,2H3;;(H3,1,2,3,4)/q-1;+1;
InChIKeyDRHYPFNENQMMMB-UHFFFAOYSA-N
XLogP1.21
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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bis(hexane);neodymium;phosphoric acid
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sodium tritriacontane
CID 150964196
dodecane;phosphoric acid
CID 88801558
copper;dodecane;phosphate
CID 175065240
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CID 159186439
bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174574861
sodium;octane;hydrate
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heptadecane
CID 156905849

Frequently Asked Questions

What is the IUPAC name of sodium;phosphoric acid;tridecane?
The IUPAC name of sodium;phosphoric acid;tridecane (CID 162219181) is sodium;phosphoric acid;tridecane.
What is the SMILES notation for sodium;phosphoric acid;tridecane?
The canonical SMILES for sodium;phosphoric acid;tridecane is O=P(O)(O)O.[CH2-]CCCCCCCCCCCC.[Na+].
What is the InChIKey of sodium;phosphoric acid;tridecane?
The InChIKey is DRHYPFNENQMMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.Na.H3O4P/c1-3-5-7-9-11-13-12-10-8-6-4-2;;1-5(2,3)4/h1,3-13H2,2H3;;(H3,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;phosphoric acid;tridecane?
sodium;phosphoric acid;tridecane has a molecular weight of 304.34 g/mol, XLogP of 1.21, 10 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;phosphoric acid;tridecane is sourced from PubChem (CID 162219181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).