trisodium;hexadecanoic acid;hydride;phosphoric acid

C16H38Na3O6P — CID 175161401

IUPACtrisodium;hexadecanoic acid;hydride;phosphoric acid
SMILESCCCCCCCCCCCCCCCC(=O)O.O=P(O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C16H32O2.3Na.H3O4P.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;;1-5(2,3)4;;;/h2-15H2,1H3,(H,17,18);;;;(H3,1,2,3,4);;;/q;3*+1;;3*-1
InChIKeyVDOBKGCMHLWDPV-UHFFFAOYSA-N
MW426.42 g/mol
LogP-4.03
Rot. Bonds14

About trisodium;hexadecanoic acid;hydride;phosphoric acid

trisodium;hexadecanoic acid;hydride;phosphoric acid (PubChem CID 175161401) has the molecular formula C16H38Na3O6P and a molecular weight of 426.42 g/mol. Its IUPAC name is trisodium;hexadecanoic acid;hydride;phosphoric acid.

Molecular Properties

Compound Nametrisodium;hexadecanoic acid;hydride;phosphoric acid
PubChem CID175161401
Molecular FormulaC16H38Na3O6P
Molecular Weight426.42 g/mol
Exact Mass426.21
IUPAC Nametrisodium;hexadecanoic acid;hydride;phosphoric acid
SMILESCCCCCCCCCCCCCCCC(=O)O.O=P(O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C16H32O2.3Na.H3O4P.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;;1-5(2,3)4;;;/h2-15H2,1H3,(H,17,18);;;;(H3,1,2,3,4);;;/q;3*+1;;3*-1
InChIKeyVDOBKGCMHLWDPV-UHFFFAOYSA-N
XLogP-4.03
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 5-4.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

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CID 175154653
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CID 160712069
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disodium;hydride;tetradecanoic acid
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sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
sodium;dodecanoic acid;hydride
CID 173060618
sodium;dihydrogen phosphate;octanoic acid
CID 172803053
sodium;hydride;octanoic acid;selane
CID 174677652
disodium;hexadecanoic acid;hydride;hydrate
CID 174056425
decamagnesium;hydride;bis(octadecanoic acid)
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CID 173321714

Frequently Asked Questions

What is the IUPAC name of trisodium;hexadecanoic acid;hydride;phosphoric acid?
The IUPAC name of trisodium;hexadecanoic acid;hydride;phosphoric acid (CID 175161401) is trisodium;hexadecanoic acid;hydride;phosphoric acid.
What is the SMILES notation for trisodium;hexadecanoic acid;hydride;phosphoric acid?
The canonical SMILES for trisodium;hexadecanoic acid;hydride;phosphoric acid is CCCCCCCCCCCCCCCC(=O)O.O=P(O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hexadecanoic acid;hydride;phosphoric acid?
The InChIKey is VDOBKGCMHLWDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.3Na.H3O4P.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;;1-5(2,3)4;;;/h2-15H2,1H3,(H,17,18);;;;(H3,1,2,3,4);;;/q;3*+1;;3*-1.
What are the key properties of trisodium;hexadecanoic acid;hydride;phosphoric acid?
trisodium;hexadecanoic acid;hydride;phosphoric acid has a molecular weight of 426.42 g/mol, XLogP of -4.03, 14 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hexadecanoic acid;hydride;phosphoric acid is sourced from PubChem (CID 175161401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).