sodium;naphthalen-1-yl hydrogen phosphate;hydrate

C10H10NaO5P — CID 23702143

IUPACsodium;naphthalen-1-yl hydrogen phosphate;hydrate
SMILESO.O=P([O-])(O)Oc1cccc2ccccc12.[Na+]
InChIInChI=1S/C10H9O4P.Na.H2O/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;1H2/q;+1;/p-1
InChIKeyNSWUDGODQXQNON-UHFFFAOYSA-M
MW264.15 g/mol
LogP-2.14
Rot. Bonds2

About sodium;naphthalen-1-yl hydrogen phosphate;hydrate

sodium;naphthalen-1-yl hydrogen phosphate;hydrate (PubChem CID 23702143) has the molecular formula C10H10NaO5P and a molecular weight of 264.15 g/mol. Its IUPAC name is sodium;naphthalen-1-yl hydrogen phosphate;hydrate.

Molecular Properties

Compound Namesodium;naphthalen-1-yl hydrogen phosphate;hydrate
PubChem CID23702143
Molecular FormulaC10H10NaO5P
Molecular Weight264.15 g/mol
Exact Mass264.02
IUPAC Namesodium;naphthalen-1-yl hydrogen phosphate;hydrate
SMILESO.O=P([O-])(O)Oc1cccc2ccccc12.[Na+]
InChIInChI=1S/C10H9O4P.Na.H2O/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;1H2/q;+1;/p-1
InChIKeyNSWUDGODQXQNON-UHFFFAOYSA-M
XLogP-2.14
TPSA101.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 5-2.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;naphthalen-1-yl hydrogen phosphate;hydrate?
The IUPAC name of sodium;naphthalen-1-yl hydrogen phosphate;hydrate (CID 23702143) is sodium;naphthalen-1-yl hydrogen phosphate;hydrate.
What is the SMILES notation for sodium;naphthalen-1-yl hydrogen phosphate;hydrate?
The canonical SMILES for sodium;naphthalen-1-yl hydrogen phosphate;hydrate is O.O=P([O-])(O)Oc1cccc2ccccc12.[Na+].
What is the InChIKey of sodium;naphthalen-1-yl hydrogen phosphate;hydrate?
The InChIKey is NSWUDGODQXQNON-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9O4P.Na.H2O/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;1H2/q;+1;/p-1.
What are the key properties of sodium;naphthalen-1-yl hydrogen phosphate;hydrate?
sodium;naphthalen-1-yl hydrogen phosphate;hydrate has a molecular weight of 264.15 g/mol, XLogP of -2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;naphthalen-1-yl hydrogen phosphate;hydrate is sourced from PubChem (CID 23702143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).