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D-Pantothenate sodium

CAT: 0607-C7117-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0607-C7117-200Size:200 mg
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CAS Number
867-81-2
Product Name Alternative
sodium (R)-3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
Sequence
Sodium pantothenate,Vitamin B5 sodium
Field of Research
Apoptosis Apoptosis
Purity
0.9956
Solubility
≥7.32mg/mL in DMSO with ultrasonic; ≥7.57 mg/mL in EtOH with ultrasonic; ≥41.6 mg/mL in H2O
Smiles
OCC(C)(C)[C@@H](O)C(NCCC(O[Na])=O)=O
Molecular Formula
C9H16NNaO5
Molecular Weight
241.22
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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