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PNPP, Disodium Hexahydrate

CAT: 0572-TRC-P653443-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P653443-1GSize:1 g
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CAS Number
333338-18-4
Synonyms
4-Nitrophenyl Phosphate Disodium Salt; Disodium 4-Nitrophenyl Phosphate; Disodium Mono(4-nitrophenyl) Phosphate; Disodium p-Nitrophenyl Phosphate; p-NPP Disodium Salt; p-Nitrophenyl Disodium Phosphate; p-Nitrophenyl Phosphate Disodium Salt; p-Nitrophenylphosphate Disodium Salt; Mono(p-nitrophenyl) Ester Phosphoric Acid Disodium Salt; p-Nitro-phenol Phosphate Disodium Salt
Hazard Statement
Harmful if swallowed
Smiles
O=N(C1=CC=C(C=C1)OP(O[Na])(O[Na])=O)=O.O.O.O.O.O.O
Molecular Formula
C6H4NNa2O6P • 6( H2O)
Molecular Weight
371.11
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
Additionnal Information
IUPAC name: sodium 4-nitrophenyl phosphate hexahydrate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Phosphatase
CAS Number333338-18-4
PubChem CID2723710
IUPAC Namedisodium;(4-nitrophenyl) phosphate;hexahydrate
Molecular FormulaC6H16NNa2O12P
Molecular Weight371.14
Topological Polar Surface Area124
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity238
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+]
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
InChIKey
KAKKHKRHCKCAGH-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Phosphatase
CAS: 333338-18-4
CID: 2723710
Formula: C6H16NNa2O12P
MW: 371.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.14
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count1
Exact Mass371.02055051
Monoisotopic Mass371.02055051
Topological Polar Surface Area124 Ų
Heavy Atom Count22
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count9
Compound Is CanonicalizedYes

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