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PNNP

CAT: 0013-GTR19193078-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193078-01Size:10 mg
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Description
PNNP
CAS Number
330-13-2
Product Name Alternative
PNNP, p-NNP, p-Nitrophenyl phosphate, p NNP, CarbonicAnhydrase, Carbonic Anhydrase, Carbonic anhydrase, Nitrophenylphosphate
Field of Research
Metabolism Research
Purity
99.73% (May vary between batches)
Solubility
DMSO:60 mg/mL (273.86 mM)
Smiles
O (P (=O) (O) O) C1=CC=C (N (=O) =O) C=C1
Molecular Formula
C6H6NO6P
Molecular Weight
219.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Nitrophenyl Phosphate

4-nitrophenyl phosphate is an aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. It has a role as a mouse metabolite. It is functionally related to a 4-nitrophenol. It is a conjugate acid of a 4-nitrophenyl phosphate(2-).

CAS Number330-13-2
PubChem CID378
IUPAC Name(4-nitrophenyl) dihydrogen phosphate
Molecular FormulaC6H6NO6P
Molecular Weight219.09
XLogP0.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity250
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O
InChI
InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
InChIKey
XZKIHKMTEMTJQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitrophenyl Phosphate
CAS: 330-13-2
CID: 378
Formula: C6H6NO6P
MW: 219.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.09
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass218.99327391
Monoisotopic Mass218.99327391
Topological Polar Surface Area113 Ų
Heavy Atom Count14
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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