trisodium;hydride;phosphono octadecanoate

C18H40Na3O5P — CID 175375815

IUPACtrisodium;hydride;phosphono octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C18H37O5P.3Na.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22;;;;;;/h2-17H2,1H3,(H2,20,21,22);;;;;;/q;3*+1;3*-1
InChIKeyBCUJSQBCHRYLSO-UHFFFAOYSA-N
MW436.46 g/mol
LogP-2.77
Rot. Bonds17

About trisodium;hydride;phosphono octadecanoate

trisodium;hydride;phosphono octadecanoate (PubChem CID 175375815) has the molecular formula C18H40Na3O5P and a molecular weight of 436.46 g/mol. Its IUPAC name is trisodium;hydride;phosphono octadecanoate.

Molecular Properties

Compound Nametrisodium;hydride;phosphono octadecanoate
PubChem CID175375815
Molecular FormulaC18H40Na3O5P
Molecular Weight436.46 g/mol
Exact Mass436.23
IUPAC Nametrisodium;hydride;phosphono octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C18H37O5P.3Na.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22;;;;;;/h2-17H2,1H3,(H2,20,21,22);;;;;;/q;3*+1;3*-1
InChIKeyBCUJSQBCHRYLSO-UHFFFAOYSA-N
XLogP-2.77
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 5-2.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

potassium;hydride;phosphono decanoate
CID 173362975
ethene;phosphono octadecanoate;hydrate
CID 175287151
phosphono docos-13-enoate
CID 173153244
neodymium;phosphono (Z)-octadec-9-enoate
CID 175084367
[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
di(octanoyloxy)phosphoryl octanoate
CID 57032543
[hydroxy(phosphonooxy)phosphoryl] octadecanoate
CID 175419866
fluoro(icosanoyloxy)phosphinic acid
CID 175870939
[hydroxy(methoxy)phosphoryl] octadecanoate
CID 172713209
phosphono butanoate
CID 266
sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate
CID 174913786
sodium;bromo octanoate;hydride
CID 174796698

Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;phosphono octadecanoate?
The IUPAC name of trisodium;hydride;phosphono octadecanoate (CID 175375815) is trisodium;hydride;phosphono octadecanoate.
What is the SMILES notation for trisodium;hydride;phosphono octadecanoate?
The canonical SMILES for trisodium;hydride;phosphono octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;phosphono octadecanoate?
The InChIKey is BCUJSQBCHRYLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O5P.3Na.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22;;;;;;/h2-17H2,1H3,(H2,20,21,22);;;;;;/q;3*+1;3*-1.
What are the key properties of trisodium;hydride;phosphono octadecanoate?
trisodium;hydride;phosphono octadecanoate has a molecular weight of 436.46 g/mol, XLogP of -2.77, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;phosphono octadecanoate is sourced from PubChem (CID 175375815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).