disodium;naphthalen-1-ol;naphthalen-2-yl phosphate

C20H15Na2O5P — CID 159176752

IUPACdisodium;naphthalen-1-ol;naphthalen-2-yl phosphate
SMILESO=P([O-])([O-])Oc1ccc2ccccc2c1.Oc1cccc2ccccc12.[Na+].[Na+]
InChIInChI=1S/C10H9O4P.C10H8O.2Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;11-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);1-7,11H;;/q;;2*+1/p-2
InChIKeyHUBLCBRLWGGVFJ-UHFFFAOYSA-L
MW412.29 g/mol
LogP-2.40
Rot. Bonds2

About disodium;naphthalen-1-ol;naphthalen-2-yl phosphate

disodium;naphthalen-1-ol;naphthalen-2-yl phosphate (PubChem CID 159176752) has the molecular formula C20H15Na2O5P and a molecular weight of 412.29 g/mol. Its IUPAC name is disodium;naphthalen-1-ol;naphthalen-2-yl phosphate.

Molecular Properties

Compound Namedisodium;naphthalen-1-ol;naphthalen-2-yl phosphate
PubChem CID159176752
Molecular FormulaC20H15Na2O5P
Molecular Weight412.29 g/mol
Exact Mass412.05
IUPAC Namedisodium;naphthalen-1-ol;naphthalen-2-yl phosphate
SMILESO=P([O-])([O-])Oc1ccc2ccccc2c1.Oc1cccc2ccccc12.[Na+].[Na+]
InChIInChI=1S/C10H9O4P.C10H8O.2Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;11-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);1-7,11H;;/q;;2*+1/p-2
InChIKeyHUBLCBRLWGGVFJ-UHFFFAOYSA-L
XLogP-2.40
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 5-2.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze disodium;naphthalen-1-ol;naphthalen-2-yl 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

sodium naphthalen-2-yl hydrogen phosphate
CID 23700943
trisodium;(6-bromonaphthalen-2-yl) acetate;naphthalen-1-ol;naphthalen-1-yl phosphate
CID 158284355
(5-hydroxynaphthalen-2-yl) dihydrogen phosphate
CID 146268458
sodium;hydride;naphthalen-1-ol;phosphoric acid
CID 174705460
bis(naphthalen-1-ol);phosphoric acid
CID 174499172
naphthalene;naphthalen-1-ol
CID 174561564
sodium naphthalen-1-yl phosphate
CID 22991747
silver naphthalen-1-yl phosphate
CID 23471186
dicesium;naphthalen-1-yl phosphate
CID 139842203
tetrakis(naphthalen-1-ol);titanium
CID 18400436
bis(naphthalene-2,7-diol);naphthalen-1-ol
CID 174973186
(3-phosphonooxyphenyl) phosphate
CID 20547233

Frequently Asked Questions

What is the IUPAC name of disodium;naphthalen-1-ol;naphthalen-2-yl phosphate?
The IUPAC name of disodium;naphthalen-1-ol;naphthalen-2-yl phosphate (CID 159176752) is disodium;naphthalen-1-ol;naphthalen-2-yl phosphate.
What is the SMILES notation for disodium;naphthalen-1-ol;naphthalen-2-yl phosphate?
The canonical SMILES for disodium;naphthalen-1-ol;naphthalen-2-yl phosphate is O=P([O-])([O-])Oc1ccc2ccccc2c1.Oc1cccc2ccccc12.[Na+].[Na+].
What is the InChIKey of disodium;naphthalen-1-ol;naphthalen-2-yl phosphate?
The InChIKey is HUBLCBRLWGGVFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9O4P.C10H8O.2Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;11-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);1-7,11H;;/q;;2*+1/p-2.
What are the key properties of disodium;naphthalen-1-ol;naphthalen-2-yl phosphate?
disodium;naphthalen-1-ol;naphthalen-2-yl phosphate has a molecular weight of 412.29 g/mol, XLogP of -2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;naphthalen-1-ol;naphthalen-2-yl phosphate is sourced from PubChem (CID 159176752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).