sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate

C13H28NaO4PS — CID 174913786

IUPACsodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OP(O)(=S)OC.[H-].[Na+]
InChIInChI=1S/C13H27O4PS.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13(14)17-18(15,19)16-2;;/h3-12H2,1-2H3,(H,15,19);;/q;+1;-1
InChIKeyKDDDKGGJUUYDPL-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.43
Rot. Bonds12

About sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate

sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate (PubChem CID 174913786) has the molecular formula C13H28NaO4PS and a molecular weight of 334.39 g/mol. Its IUPAC name is sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate.

Molecular Properties

Compound Namesodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate
PubChem CID174913786
Molecular FormulaC13H28NaO4PS
Molecular Weight334.39 g/mol
Exact Mass334.13
IUPAC Namesodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OP(O)(=S)OC.[H-].[Na+]
InChIInChI=1S/C13H27O4PS.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13(14)17-18(15,19)16-2;;/h3-12H2,1-2H3,(H,15,19);;/q;+1;-1
InChIKeyKDDDKGGJUUYDPL-UHFFFAOYSA-N
XLogP1.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium [methoxy(oxido)phosphinothioyl] dodecanoate
CID 175136514
trisodium;hydride;phosphono octadecanoate
CID 175375815
[hydroxy(methoxy)phosphoryl] octadecanoate
CID 172713209
potassium;hydride;phosphono decanoate
CID 173362975
sodium methyl octadecanoyl phosphate
CID 172713208
[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
di(octanoyloxy)phosphoryl octanoate
CID 57032543
sodium;hydride;octanoyl octadecanoate
CID 173299765
fluoro(icosanoyloxy)phosphinic acid
CID 175870939
ethene;phosphono octadecanoate;hydrate
CID 175287151
potassium;hydride;methyl octadecanoate
CID 175153010
methyl heptanoate
CID 7826

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate?
The IUPAC name of sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate (CID 174913786) is sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate.
What is the SMILES notation for sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate?
The canonical SMILES for sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate is CCCCCCCCCCCC(=O)OP(O)(=S)OC.[H-].[Na+].
What is the InChIKey of sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate?
The InChIKey is KDDDKGGJUUYDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O4PS.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13(14)17-18(15,19)16-2;;/h3-12H2,1-2H3,(H,15,19);;/q;+1;-1.
What are the key properties of sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate?
sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate has a molecular weight of 334.39 g/mol, XLogP of 1.43, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate is sourced from PubChem (CID 174913786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).