trisodium;2-(2-nonoxyethoxy)ethanol;phosphate

C13H28Na3O7P — CID 173390917

IUPACtrisodium;2-(2-nonoxyethoxy)ethanol;phosphate
SMILESCCCCCCCCCOCCOCCO.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C13H28O3.3Na.H3O4P/c1-2-3-4-5-6-7-8-10-15-12-13-16-11-9-14;;;;1-5(2,3)4/h14H,2-13H2,1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyOJARPIZSDWSHKB-UHFFFAOYSA-K
MW396.30 g/mol
LogP-9.05
Rot. Bonds13

About trisodium;2-(2-nonoxyethoxy)ethanol;phosphate

trisodium;2-(2-nonoxyethoxy)ethanol;phosphate (PubChem CID 173390917) has the molecular formula C13H28Na3O7P and a molecular weight of 396.30 g/mol. Its IUPAC name is trisodium;2-(2-nonoxyethoxy)ethanol;phosphate.

Molecular Properties

Compound Nametrisodium;2-(2-nonoxyethoxy)ethanol;phosphate
PubChem CID173390917
Molecular FormulaC13H28Na3O7P
Molecular Weight396.30 g/mol
Exact Mass396.13
IUPAC Nametrisodium;2-(2-nonoxyethoxy)ethanol;phosphate
SMILESCCCCCCCCCOCCOCCO.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C13H28O3.3Na.H3O4P/c1-2-3-4-5-6-7-8-10-15-12-13-16-11-9-14;;;;1-5(2,3)4/h14H,2-13H2,1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyOJARPIZSDWSHKB-UHFFFAOYSA-K
XLogP-9.05
TPSA124.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 5-9.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

trisodium;bis(2-(2-dodecoxyethoxy)ethanol);phosphate
CID 173332981
tripotassium;2-tridecoxyethanol;phosphate
CID 22833352
sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride
CID 173019148
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
disodium;dioxido(oxo)silane;2-dodecoxyethanol
CID 174887160

Frequently Asked Questions

What is the IUPAC name of trisodium;2-(2-nonoxyethoxy)ethanol;phosphate?
The IUPAC name of trisodium;2-(2-nonoxyethoxy)ethanol;phosphate (CID 173390917) is trisodium;2-(2-nonoxyethoxy)ethanol;phosphate.
What is the SMILES notation for trisodium;2-(2-nonoxyethoxy)ethanol;phosphate?
The canonical SMILES for trisodium;2-(2-nonoxyethoxy)ethanol;phosphate is CCCCCCCCCOCCOCCO.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-(2-nonoxyethoxy)ethanol;phosphate?
The InChIKey is OJARPIZSDWSHKB-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H28O3.3Na.H3O4P/c1-2-3-4-5-6-7-8-10-15-12-13-16-11-9-14;;;;1-5(2,3)4/h14H,2-13H2,1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of trisodium;2-(2-nonoxyethoxy)ethanol;phosphate?
trisodium;2-(2-nonoxyethoxy)ethanol;phosphate has a molecular weight of 396.30 g/mol, XLogP of -9.05, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-(2-nonoxyethoxy)ethanol;phosphate is sourced from PubChem (CID 173390917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).