sodium naphthalen-1-yl phosphate

C10H7NaO4P- — CID 22991747

IUPACsodium naphthalen-1-yl phosphate
SMILESO=P([O-])([O-])Oc1cccc2ccccc12.[Na+]
InChIInChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+1/p-2
InChIKeyDELRLFMUZXCKAR-UHFFFAOYSA-L
MW245.13 g/mol
LogP-1.95
Rot. Bonds2

About sodium naphthalen-1-yl phosphate

sodium naphthalen-1-yl phosphate (PubChem CID 22991747) has the molecular formula C10H7NaO4P- and a molecular weight of 245.13 g/mol. Its IUPAC name is sodium naphthalen-1-yl phosphate.

Molecular Properties

Compound Namesodium naphthalen-1-yl phosphate
PubChem CID22991747
Molecular FormulaC10H7NaO4P-
Molecular Weight245.13 g/mol
Exact Mass245.00
IUPAC Namesodium naphthalen-1-yl phosphate
SMILESO=P([O-])([O-])Oc1cccc2ccccc12.[Na+]
InChIInChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+1/p-2
InChIKeyDELRLFMUZXCKAR-UHFFFAOYSA-L
XLogP-1.95
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

silver naphthalen-1-yl phosphate
CID 23471186
dicesium;naphthalen-1-yl phosphate
CID 139842203
tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate
CID 56967749
[hydroxy(naphthalen-1-yloxy)phosphoryl] formate
CID 67570808
trisodium;(6-bromonaphthalen-2-yl) acetate;naphthalen-1-ol;naphthalen-1-yl phosphate
CID 158284355
1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one
CID 23002016
phenyl dinaphthalen-1-yloxyphosphorylformate
CID 87699801
[hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate
CID 87632049
1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene
CID 87221296
disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane
CID 172839887
lithium dinaphthalen-1-ylphosphinate
CID 141248266
dinaphthalen-1-yl (4-propylphenyl) phosphate
CID 139980306

Frequently Asked Questions

What is the IUPAC name of sodium naphthalen-1-yl phosphate?
The IUPAC name of sodium naphthalen-1-yl phosphate (CID 22991747) is sodium naphthalen-1-yl phosphate.
What is the SMILES notation for sodium naphthalen-1-yl phosphate?
The canonical SMILES for sodium naphthalen-1-yl phosphate is O=P([O-])([O-])Oc1cccc2ccccc12.[Na+].
What is the InChIKey of sodium naphthalen-1-yl phosphate?
The InChIKey is DELRLFMUZXCKAR-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+1/p-2.
What are the key properties of sodium naphthalen-1-yl phosphate?
sodium naphthalen-1-yl phosphate has a molecular weight of 245.13 g/mol, XLogP of -1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium naphthalen-1-yl phosphate is sourced from PubChem (CID 22991747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).