D-Pantothenic acid calcium salt hydrate

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Catalog Number

ACM331748073

Product Name

Structure

CAS

331748-07-3

Category

Heterocyclic Organic Compound

IUPAC Name

calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;hydrate

Molecular Weight

494.5g/mol

Molecular Formula

C18H34CaN2O11

Canonical SMILES

CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.O.[Ca+2]

InChI

InChI=1S/2C9H17NO5.Ca.H₂O/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);;1H2/q;;+2;/p-2/t2*7-;;/m00../s1

InChI Key

KUKRZUPDYACRAM-GXIDORRSSA-L

Complexity

534

Covalently-Bonded Unit Count

EC Number

205-278-9

Exact Mass

494.178851g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

494.178851g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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