sodium;hydride;tetradecyl dihydrogen phosphate

C14H32NaO4P — CID 173022959

IUPACsodium;hydride;tetradecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCOP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H31O4P.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;;/h2-14H2,1H3,(H2,15,16,17);;/q;+1;-1
InChIKeyDITGEZTVLHYCKQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.91
Rot. Bonds14

About sodium;hydride;tetradecyl dihydrogen phosphate

sodium;hydride;tetradecyl dihydrogen phosphate (PubChem CID 173022959) has the molecular formula C14H32NaO4P and a molecular weight of 318.37 g/mol. Its IUPAC name is sodium;hydride;tetradecyl dihydrogen phosphate.

Molecular Properties

Compound Namesodium;hydride;tetradecyl dihydrogen phosphate
PubChem CID173022959
Molecular FormulaC14H32NaO4P
Molecular Weight318.37 g/mol
Exact Mass318.19
IUPAC Namesodium;hydride;tetradecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCOP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H31O4P.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;;/h2-14H2,1H3,(H2,15,16,17);;/q;+1;-1
InChIKeyDITGEZTVLHYCKQ-UHFFFAOYSA-N
XLogP1.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;hydride;tetradecyl dihydrogen phosphate 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

octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
azane;octadecyl dihydrogen phosphate
CID 87905459
dodecyl dihydrogen phosphate;indigane
CID 173026750
CID 170842594
CID 170842594
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009
sodium;dihydrogen phosphate;heptyl dihydrogen phosphate
CID 172707901

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;tetradecyl dihydrogen phosphate?
The IUPAC name of sodium;hydride;tetradecyl dihydrogen phosphate (CID 173022959) is sodium;hydride;tetradecyl dihydrogen phosphate.
What is the SMILES notation for sodium;hydride;tetradecyl dihydrogen phosphate?
The canonical SMILES for sodium;hydride;tetradecyl dihydrogen phosphate is CCCCCCCCCCCCCCOP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;tetradecyl dihydrogen phosphate?
The InChIKey is DITGEZTVLHYCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O4P.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;;/h2-14H2,1H3,(H2,15,16,17);;/q;+1;-1.
What are the key properties of sodium;hydride;tetradecyl dihydrogen phosphate?
sodium;hydride;tetradecyl dihydrogen phosphate has a molecular weight of 318.37 g/mol, XLogP of 1.91, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;tetradecyl dihydrogen phosphate is sourced from PubChem (CID 173022959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).