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d-pantothenic acid calcium salt hydrate

CAS No.:
331748-07-3
Catalog Number:
AG003PW4
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003PW4
Chemical Name:
d-pantothenic acid calcium salt hydrate
CAS Number:
331748-07-3
MDL Number:
MFCD00149115
IUPAC Name:
calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;hydrate
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
EC Number:
205-278-9
Properties
Complexity:
534  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
494.179g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
494.551g/mol
Monoisotopic Mass:
494.179g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties