Alpha-naphthyl acid phosphate monosodium salt

C₁₀H₈NaO₄PCAS 14455-30-2246.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈NaO₄P
Molar mass: 246.13 g/mol
Exact mass: 246.0058 Da
logP: -1.32Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

14455-30-2

SMILES

C1=CC=C2C(=C1)C=CC=C2OP(=O)(O)[O-].[Na+]

InChIKey

DELRLFMUZXCKAR-UHFFFAOYSA-M

InChI

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-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Alpha-naphthyl acid phosphate monosodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Naphthyl phosphate monosodium salt monohydrate81012-89-7Hydrate 1-Naphthyl phosphate1136-89-6Free acid 1-Naphthyl disodium orthophosphate2183-17-7Salt Sodium naphthalen-1-yl phosphate hydrate207569-06-0Salt

Similar compounds

Sodium 2-naphthalenyl phosphate (1:1)14463-68-464 % similar (±)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-63-642 % similar (+)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-64-742 % similar (-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate39648-67-442 % similar 1-Methoxynaphthalene2216-69-539 % similar Sodium 1-naphthalenesulfonate130-14-338 % similar Naphthoxyacetic acid2976-75-238 % similar Sodium triphosphate13573-18-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook