tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C6H6NNa4O10P3 — CID 11407948

IUPACtetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESNc1ccccc1OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H10NO10P3.4Na/c7-5-3-1-2-4-6(5)15-19(11,12)17-20(13,14)16-18(8,9)10;;;;/h1-4H,7H2,(H,11,12)(H,13,14)(H2,8,9,10);;;;/q;4*+1/p-4
InChIKeyAYCBSBQQKNCXRW-UHFFFAOYSA-J
MW436.99 g/mol
LogP-13.54
Rot. Bonds6

About tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 11407948) has the molecular formula C6H6NNa4O10P3 and a molecular weight of 436.99 g/mol. Its IUPAC name is tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

Compound Nametetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
PubChem CID11407948
Molecular FormulaC6H6NNa4O10P3
Molecular Weight436.99 g/mol
Exact Mass436.88
IUPAC Nametetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESNc1ccccc1OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H10NO10P3.4Na/c7-5-3-1-2-4-6(5)15-19(11,12)17-20(13,14)16-18(8,9)10;;;;/h1-4H,7H2,(H,11,12)(H,13,14)(H2,8,9,10);;;;/q;4*+1/p-4
InChIKeyAYCBSBQQKNCXRW-UHFFFAOYSA-J
XLogP-13.54
TPSA197.16 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 5-13.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 173241012
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
sodium (2-aminophenyl) sulfite
CID 156780353
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11523702
2-(2-aminophenoxy)peroxyaniline
CID 15807265
tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate
CID 56967749
2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 19380802
sodium naphthalen-1-yl phosphate
CID 22991747
disodium;phenyl phosphate
CID 2724225
2-methoxyaniline;dihydrochloride
CID 69020746

Frequently Asked Questions

What is the IUPAC name of tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The IUPAC name of tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 11407948) is tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.
What is the SMILES notation for tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The canonical SMILES for tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is Nc1ccccc1OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The InChIKey is AYCBSBQQKNCXRW-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H10NO10P3.4Na/c7-5-3-1-2-4-6(5)15-19(11,12)17-20(13,14)16-18(8,9)10;;;;/h1-4H,7H2,(H,11,12)(H,13,14)(H2,8,9,10);;;;/q;4*+1/p-4.
What are the key properties of tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 436.99 g/mol, XLogP of -13.54, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 11407948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).