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PPADS tetrasodium salt

CAT: 0024-sc-253332Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-253332Size:10 mg
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CAS Number
192575-19-2

Chemical Information

Ppads tetrasodium salt

Tetrasodium 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate is an organic sodium salt that is the tetrasodium salt of 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid. It has a role as a purinergic receptor P2X antagonist. It is an organic sodium salt and an organosulfonate salt. It contains a 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate.

CAS Number192575-19-2
PubChem CID135484645
IUPAC Nametetrasodium;4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)-2-pyridinyl]diazenyl]benzene-1,3-disulfonate
Molecular FormulaC14H10N3Na4O12PS2
Molecular Weight599.3
Topological Polar Surface Area278
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity918
SMILES
CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])COP(=O)([O-])[O-])C=O)O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C14H14N3O12PS2.4Na/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28;;;;/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28);;;;/q;4*+1/p-4
InChIKey
KURWUCJJNVPCHT-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Ppads tetrasodium salt
CAS: 192575-19-2
CID: 135484645
Formula: C14H10N3Na4O12PS2
MW: 599.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Exact Mass598.90342924
Monoisotopic Mass598.90342924
Topological Polar Surface Area278 Ų
Heavy Atom Count36
Formal Charge0
Complexity918
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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CatalogName
B6381-50PPADS tetrasodium salt
255529-01Iso-PPADS tetrasodium salt
M33471-01PPADS tetrasodium
HY-101044-01PPADS (tetrasodium)
HY-101077-01Iso-PPADS (tetrasodium)
HY-108649AMRS2768 (tetrasodium salt)
T72248MRS2768 tetrasodium salt
256221PF9 tetrasodium salt
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