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Calcium orotate

CAS No.:
22454-86-0
Catalog Number:
AG0039YM
Molecular Formula:
C10H6CaN4O8
Molecular Weight:
350.2546
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$82
- +
5g
95%
In Stock USA
United States
$207
- +
10g
95%
In Stock USA
United States
$332
- +
25g
95%
In Stock USA
United States
$644
- +
100g
95%
In Stock USA
United States
$1339
- +
Product Description
Catalog Number:
AG0039YM
Chemical Name:
Calcium orotate
CAS Number:
22454-86-0
Molecular Formula:
C10H6CaN4O8
Molecular Weight:
350.2546
MDL Number:
MFCD00039119
IUPAC Name:
calcium;2,4-dioxo-1H-pyrimidine-6-carboxylate
InChI:
InChI=1S/2C5H4N2O4.Ca/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChI Key:
SZKLQJZEAFLPDA-UHFFFAOYSA-L
SMILES:
O=c1[nH]c(=O)[nH]c(c1)C(=O)[O-].O=c1[nH]c(=O)[nH]c(c1)C(=O)[O-].[Ca+2]
EC Number:
245-009-2
UNII:
990GJM86HY
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.981g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
350.256g/mol
Monoisotopic Mass:
349.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties