4-Nitrophenyl phosphate disodium salt hexahydrate

C₆H₁₆NNa₂O₁₂PCAS 333338-18-4371.14 g/mol

Open in Covalent MOL file

Nitro Phosphate

Properties

Molecular formula: C₆H₁₆NNa₂O₁₂P
Molar mass: 371.14 g/mol
Exact mass: 371.0206 Da
logP: -11.14Crippen estimate
Polar surface area: 304.6 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 3

Hazards

Danger

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P271, P284, P304+P340, P342+P316, P403, P501

Identifiers

CAS number

333338-18-4

SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+]

InChIKey

KAKKHKRHCKCAGH-UHFFFAOYSA-L

InChI

InChI=1S/C6H6NO6P.2Na.6H2O/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;;;;;;;/h1-4H,(H2,10,11,12);;;6*1H2/q;2*+1;;;;;;/p-2

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Names and synonyms

1 names

Phosphatase

Work with 4-Nitrophenyl phosphate disodium salt hexahydrate

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.

Disodium p-nitrophenyl phosphate4264-83-9Anhydrous Phosphoric acid, mono(4-nitrophenyl) ester, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2)68189-42-4Salt Phosphoric acid, mono(4-nitrophenyl) ester, compd. with cyclohexanamine (1:2)52483-84-8Salt

Similar compounds

Sodium bis(4-nitrophenyl) phosphate4043-96-367 % similar Bis(p-nitrophenyl) phosphate645-15-854 % similar Disodium phenyl phosphate3279-54-753 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-349 % similar Parathion56-38-247 % similar Parathion methyl298-00-047 % similar Sodium p-nitrophenolate824-78-246 % similar 4-Nitroanisole100-17-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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