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Calcium D-Panthotenate

CAT: 0957-S4503-01Size: 50 mgDry Ice: YesHazardous: No
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Description
Calcium D-Panthotenate (D-Pantothenic Acid Calcium), also called vitamin B5 Calcium, is a water-soluble vitamin and an essential nutrient for many animals.
CAS Number
137-08-6
Synonyms
D-Pantothenic Acid Calcium
Target
Vitamin
Activity
Metabolism
Molecular Formula
C18H32CaN2O10
Storage Conditions
2 years -80 in solvent

Chemical Information

Calcium Pantothenate

Calcium pantothenate is a polymer.

CAS Number137-08-6
PubChem CID443753
IUPAC Namecalcium bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate)
Molecular FormulaC18H32CaN2O10
Molecular Weight476.5
Topological Polar Surface Area219
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity233
SMILES
CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Ca+2]
InChI
InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
InChIKey
FAPWYRCQGJNNSJ-UBKPKTQASA-L
Chemical Structure
2D Structure
2D structure of Calcium Pantothenate
CAS: 137-08-6
CID: 443753
Formula: C18H32CaN2O10
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight476.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass476.1682861
Monoisotopic Mass476.1682861
Topological Polar Surface Area219 Ų
Heavy Atom Count31
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes