disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane

C11H9Na2O3P — CID 172839887

IUPACdisodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane
SMILESO=P([O-])([O-])Cc1cccc2ccccc12.[Na+].[Na+]
InChIInChI=1S/C11H11O3P.2Na/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10;;/h1-7H,8H2,(H2,12,13,14);;/q;2*+1/p-2
InChIKeyWQPAJGFAXKDFCO-UHFFFAOYSA-L
MW266.14 g/mol
LogP-4.74
Rot. Bonds2

About disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane

disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane (PubChem CID 172839887) has the molecular formula C11H9Na2O3P and a molecular weight of 266.14 g/mol. Its IUPAC name is disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namedisodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane
PubChem CID172839887
Molecular FormulaC11H9Na2O3P
Molecular Weight266.14 g/mol
Exact Mass266.01
IUPAC Namedisodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane
SMILESO=P([O-])([O-])Cc1cccc2ccccc12.[Na+].[Na+]
InChIInChI=1S/C11H11O3P.2Na/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10;;/h1-7H,8H2,(H2,12,13,14);;/q;2*+1/p-2
InChIKeyWQPAJGFAXKDFCO-UHFFFAOYSA-L
XLogP-4.74
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 5-4.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane 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

dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)
CID 159960659
sodium;1-ethylnaphthalene;hydride
CID 174300793
sodium naphthalen-1-yl phosphate
CID 22991747
azane;1-ethylnaphthalene
CID 19048185
lithium dinaphthalen-1-ylphosphinate
CID 141248266
1-(2-dichlorophosphorylethyl)naphthalene
CID 18630427
silver naphthalen-1-yl phosphate
CID 23471186
sodium;1-ethylnaphthalene;phenoxide
CID 159168482
CID 66760372
CID 66760372
[5-(phosphonomethyl)naphthalen-1-yl]methylphosphonic acid
CID 102099727
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
carbamic acid;naphthalen-1-ylmethanol
CID 71402043

Frequently Asked Questions

What is the IUPAC name of disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane (CID 172839887) is disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane is O=P([O-])([O-])Cc1cccc2ccccc12.[Na+].[Na+].
What is the InChIKey of disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane?
The InChIKey is WQPAJGFAXKDFCO-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H11O3P.2Na/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10;;/h1-7H,8H2,(H2,12,13,14);;/q;2*+1/p-2.
What are the key properties of disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane?
disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane has a molecular weight of 266.14 g/mol, XLogP of -4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 172839887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).