tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate

C10H6Na4O8P2 — CID 56967749

IUPACtetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate
SMILESO=P([O-])([O-])Oc1ccc(OP(=O)([O-])[O-])c2ccccc12.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H10O8P2.4Na/c11-19(12,13)17-9-5-6-10(18-20(14,15)16)8-4-2-1-3-7(8)9;;;;/h1-6H,(H2,11,12,13)(H2,14,15,16);;;;/q;4*+1/p-4
InChIKeyHSELFRZBVVVJKG-UHFFFAOYSA-J
MW408.06 g/mol
LogP-12.73
Rot. Bonds4

About tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate

tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate (PubChem CID 56967749) has the molecular formula C10H6Na4O8P2 and a molecular weight of 408.06 g/mol. Its IUPAC name is tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate.

Molecular Properties

Compound Nametetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate
PubChem CID56967749
Molecular FormulaC10H6Na4O8P2
Molecular Weight408.06 g/mol
Exact Mass407.91
IUPAC Nametetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate
SMILESO=P([O-])([O-])Oc1ccc(OP(=O)([O-])[O-])c2ccccc12.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H10O8P2.4Na/c11-19(12,13)17-9-5-6-10(18-20(14,15)16)8-4-2-1-3-7(8)9;;;;/h1-6H,(H2,11,12,13)(H2,14,15,16);;;;/q;4*+1/p-4
InChIKeyHSELFRZBVVVJKG-UHFFFAOYSA-J
XLogP-12.73
TPSA144.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.06
LogP ≤ 5-12.73
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

sodium naphthalen-1-yl phosphate
CID 22991747
silver naphthalen-1-yl phosphate
CID 23471186
dicesium;naphthalen-1-yl phosphate
CID 139842203
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
tris(4-aminonaphthalen-1-yl) phosphate
CID 67447476
magnesium (6-oxophenalen-1-yl) phosphate
CID 21276038
disodium;(4-sulfonatooxynaphthalen-1-yl) sulfate
CID 66863421
[2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate
CID 18522799
disodium;naphthalen-1-ol;naphthalen-2-yl phosphate
CID 159176752
disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate
CID 70120911
bis(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl) phosphate
CID 172638217

Frequently Asked Questions

What is the IUPAC name of tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate?
The IUPAC name of tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate (CID 56967749) is tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate.
What is the SMILES notation for tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate?
The canonical SMILES for tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate is O=P([O-])([O-])Oc1ccc(OP(=O)([O-])[O-])c2ccccc12.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate?
The InChIKey is HSELFRZBVVVJKG-UHFFFAOYSA-J. The full InChI is InChI=1S/C10H10O8P2.4Na/c11-19(12,13)17-9-5-6-10(18-20(14,15)16)8-4-2-1-3-7(8)9;;;;/h1-6H,(H2,11,12,13)(H2,14,15,16);;;;/q;4*+1/p-4.
What are the key properties of tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate?
tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate has a molecular weight of 408.06 g/mol, XLogP of -12.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate is sourced from PubChem (CID 56967749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).