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D-Pantothenate Sodium

CAT: 1568-C11136Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C11136Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
867-81-2
SKU
C11136-25mg
Target
Vitamin
Applications
Metabolism
Smiles
CC (C) (CO) C (C (=O) NCCC (=O) [O-]) O.[Na+]
Molecular Formula
C9H16NO5.Na
Additionnal Information
D-Pantothenate Sodium, the sodium salt of D-pantothenate, is a derivative of vitamin B5 which is an an essential nutrient and plays important roles in the oxidation of fats and carbohydrates and certain amino acids.
Storage Conditions
3 years -20°C powder

Chemical Information

Sodium Pantothenate
CAS Number867-81-2
PubChem CID23679004
IUPAC Namesodium 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
Molecular FormulaC9H16NNaO5
Molecular Weight241.22
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity244
SMILES
CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Na+]
InChI
InChI=1S/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+1/p-1/t7-;/m0./s1
InChIKey
GQTHJBOWLPZUOI-FJXQXJEOSA-M
Chemical Structure
2D Structure
2D structure of Sodium Pantothenate
CAS: 867-81-2
CID: 23679004
Formula: C9H16NNaO5
MW: 241.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.22
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass241.09261689
Monoisotopic Mass241.09261689
Topological Polar Surface Area110 Ų
Heavy Atom Count16
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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