tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate

C11H8Na4O8P2 — CID 8555

IUPACtetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate
SMILESCc1cc(OP(=O)([O-])[O-])c2ccccc2c1OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C11H12O8P2.4Na/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4
InChIKeyGZBACHSOZNEZOG-UHFFFAOYSA-J
MW422.09 g/mol
LogP-12.42
Rot. Bonds4

About tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate

tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate (PubChem CID 8555) has the molecular formula C11H8Na4O8P2 and a molecular weight of 422.09 g/mol. Its IUPAC name is tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate.

Molecular Properties

Compound Nametetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate
PubChem CID8555
Molecular FormulaC11H8Na4O8P2
Molecular Weight422.09 g/mol
Exact Mass421.93
IUPAC Nametetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate
SMILESCc1cc(OP(=O)([O-])[O-])c2ccccc2c1OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C11H12O8P2.4Na/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4
InChIKeyGZBACHSOZNEZOG-UHFFFAOYSA-J
XLogP-12.42
TPSA144.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.09
LogP ≤ 5-12.42
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

Menadiol
CID 10209
Menadiol Sodium Diphosphate
CID 197855
1-Naphthalenol, 1-(dihydrogen phosphate), sodium salt (1:1)
CID 2114
Menadiol Diphosphate
CID 8556
Naphthyl phosphate
CID 2115
Disodium 1,4-dihydro-9,10-anthracenediol
CID 155787
Sodium dianthracen-9-yl phosphate
CID 149016466
Disodium naphthyl phosphate
CID 75132
1-Naphthyl phosphate monosodium salt monohydrate
CID 23702143
Sodium naphthalen-1-yl phosphate hydrate
CID 24212014
Menadiol Sodium Sulfate
CID 71102
Tetrasodium;(6-phosphonatooxynaphthalen-2-yl) phosphate
CID 145980322

Frequently Asked Questions

What is the IUPAC name of tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate?
The IUPAC name of tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate (CID 8555) is tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate.
What is the SMILES notation for tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate?
The canonical SMILES for tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate is Cc1cc(OP(=O)([O-])[O-])c2ccccc2c1OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate?
The InChIKey is GZBACHSOZNEZOG-UHFFFAOYSA-J. The full InChI is InChI=1S/C11H12O8P2.4Na/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4.
What are the key properties of tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate?
tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate has a molecular weight of 422.09 g/mol, XLogP of -12.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate is sourced from PubChem (CID 8555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).