dicesium;naphthalen-1-yl phosphate

C10H7Cs2O4P — CID 139842203

IUPACdicesium;naphthalen-1-yl phosphate
SMILESO=P([O-])([O-])Oc1cccc2ccccc12.[Cs+].[Cs+]
InChIInChI=1S/C10H9O4P.2Cs/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;/q;2*+1/p-2
InChIKeyIYARTIHVJNOQEO-UHFFFAOYSA-L
MW487.95 g/mol
LogP-4.94
Rot. Bonds2

About dicesium;naphthalen-1-yl phosphate

dicesium;naphthalen-1-yl phosphate (PubChem CID 139842203) has the molecular formula C10H7Cs2O4P and a molecular weight of 487.95 g/mol. Its IUPAC name is dicesium;naphthalen-1-yl phosphate.

Molecular Properties

Compound Namedicesium;naphthalen-1-yl phosphate
PubChem CID139842203
Molecular FormulaC10H7Cs2O4P
Molecular Weight487.95 g/mol
Exact Mass487.82
IUPAC Namedicesium;naphthalen-1-yl phosphate
SMILESO=P([O-])([O-])Oc1cccc2ccccc12.[Cs+].[Cs+]
InChIInChI=1S/C10H9O4P.2Cs/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;/q;2*+1/p-2
InChIKeyIYARTIHVJNOQEO-UHFFFAOYSA-L
XLogP-4.94
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.95
LogP ≤ 5-4.94
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

sodium naphthalen-1-yl phosphate
CID 22991747
silver naphthalen-1-yl phosphate
CID 23471186
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 dicesium;naphthalen-1-yl phosphate?
The IUPAC name of dicesium;naphthalen-1-yl phosphate (CID 139842203) is dicesium;naphthalen-1-yl phosphate.
What is the SMILES notation for dicesium;naphthalen-1-yl phosphate?
The canonical SMILES for dicesium;naphthalen-1-yl phosphate is O=P([O-])([O-])Oc1cccc2ccccc12.[Cs+].[Cs+].
What is the InChIKey of dicesium;naphthalen-1-yl phosphate?
The InChIKey is IYARTIHVJNOQEO-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9O4P.2Cs/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;/q;2*+1/p-2.
What are the key properties of dicesium;naphthalen-1-yl phosphate?
dicesium;naphthalen-1-yl phosphate has a molecular weight of 487.95 g/mol, XLogP of -4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;naphthalen-1-yl phosphate is sourced from PubChem (CID 139842203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).