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2-Phospho-L-ascorbic acid trisodium salt

CAT: 0024-sc-230644ASize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-230644ASize:25 g
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CAS Number
66170-10-3

Chemical Information

Sodium Ascorbyl Phosphate
CAS Number66170-10-3
PubChem CID10990876
IUPAC Nametrisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate
Molecular FormulaC6H6Na3O9P
Molecular Weight322.05
Topological Polar Surface Area162
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity357
SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)OP(=O)([O-])[O-])[O-])O)O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C6H9O9P.3Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;/q;3*+1/p-3/t2-,4+;;;/m0.../s1
InChIKey
YRWWOAFMPXPHEJ-OFBPEYICSA-K
Chemical Structure
2D Structure
2D structure of Sodium Ascorbyl Phosphate
CAS: 66170-10-3
CID: 10990876
Formula: C6H6Na3O9P
MW: 322.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight322.05
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass321.94425161
Monoisotopic Mass321.94425161
Topological Polar Surface Area162 Ų
Heavy Atom Count19
Formal Charge0
Complexity357
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes