disodium;phenyl phosphate

C6H5Na2O4P — CID 2724225

IUPACdisodium;phenyl phosphate
SMILESO=P([O-])([O-])Oc1ccccc1.[Na+].[Na+]
InChIInChI=1S/C6H7O4P.2Na/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;2*+1/p-2
InChIKeyTYJOJLOWRIQYQM-UHFFFAOYSA-L
MW218.06 g/mol
LogP-6.10
Rot. Bonds2

About disodium;phenyl phosphate

disodium;phenyl phosphate (PubChem CID 2724225) has the molecular formula C6H5Na2O4P and a molecular weight of 218.06 g/mol. Its IUPAC name is disodium;phenyl phosphate.

Molecular Properties

Compound Namedisodium;phenyl phosphate
PubChem CID2724225
Molecular FormulaC6H5Na2O4P
Molecular Weight218.06 g/mol
Exact Mass217.97
IUPAC Namedisodium;phenyl phosphate
SMILESO=P([O-])([O-])Oc1ccccc1.[Na+].[Na+]
InChIInChI=1S/C6H7O4P.2Na/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;2*+1/p-2
InChIKeyTYJOJLOWRIQYQM-UHFFFAOYSA-L
XLogP-6.10
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.06
LogP ≤ 5-6.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium phenyl phosphate
CID 172856118
potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
sodium phenoxy(phenyl)phosphinate
CID 161254659
chloro(phenoxy)phosphinate
CID 71354399
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
cesium phenyl hydrogen phosphate
CID 175568082
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
zinc ethyl(phenoxy)phosphinate
CID 118975861
tripotassium;phenoxybenzene;phosphate
CID 160692134
zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
CID 18762383

Frequently Asked Questions

What is the IUPAC name of disodium;phenyl phosphate?
The IUPAC name of disodium;phenyl phosphate (CID 2724225) is disodium;phenyl phosphate.
What is the SMILES notation for disodium;phenyl phosphate?
The canonical SMILES for disodium;phenyl phosphate is O=P([O-])([O-])Oc1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;phenyl phosphate?
The InChIKey is TYJOJLOWRIQYQM-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7O4P.2Na/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;2*+1/p-2.
What are the key properties of disodium;phenyl phosphate?
disodium;phenyl phosphate has a molecular weight of 218.06 g/mol, XLogP of -6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;phenyl phosphate is sourced from PubChem (CID 2724225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).