tetrasodium phenyl phosphate

C12H10Na4O8P2 — CID 172856118

IUPACtetrasodium phenyl phosphate
SMILESO=P([O-])([O-])Oc1ccccc1.O=P([O-])([O-])Oc1ccccc1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C6H7O4P.4Na/c2*7-11(8,9)10-6-4-2-1-3-5-6;;;;/h2*1-5H,(H2,7,8,9);;;;/q;;4*+1/p-4
InChIKeyYSPQRFHPTLBXKA-UHFFFAOYSA-J
MW436.11 g/mol
LogP-12.20
Rot. Bonds4

About tetrasodium phenyl phosphate

tetrasodium phenyl phosphate (PubChem CID 172856118) has the molecular formula C12H10Na4O8P2 and a molecular weight of 436.11 g/mol. Its IUPAC name is tetrasodium phenyl phosphate.

Molecular Properties

Compound Nametetrasodium phenyl phosphate
PubChem CID172856118
Molecular FormulaC12H10Na4O8P2
Molecular Weight436.11 g/mol
Exact Mass435.94
IUPAC Nametetrasodium phenyl phosphate
SMILESO=P([O-])([O-])Oc1ccccc1.O=P([O-])([O-])Oc1ccccc1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C6H7O4P.4Na/c2*7-11(8,9)10-6-4-2-1-3-5-6;;;;/h2*1-5H,(H2,7,8,9);;;;/q;;4*+1/p-4
InChIKeyYSPQRFHPTLBXKA-UHFFFAOYSA-J
XLogP-12.20
TPSA144.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.11
LogP ≤ 5-12.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium;phenyl phosphate
CID 2724225
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 tetrasodium phenyl phosphate?
The IUPAC name of tetrasodium phenyl phosphate (CID 172856118) is tetrasodium phenyl phosphate.
What is the SMILES notation for tetrasodium phenyl phosphate?
The canonical SMILES for tetrasodium phenyl phosphate is O=P([O-])([O-])Oc1ccccc1.O=P([O-])([O-])Oc1ccccc1.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium phenyl phosphate?
The InChIKey is YSPQRFHPTLBXKA-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H7O4P.4Na/c2*7-11(8,9)10-6-4-2-1-3-5-6;;;;/h2*1-5H,(H2,7,8,9);;;;/q;;4*+1/p-4.
What are the key properties of tetrasodium phenyl phosphate?
tetrasodium phenyl phosphate has a molecular weight of 436.11 g/mol, XLogP of -12.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium phenyl phosphate is sourced from PubChem (CID 172856118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).