Pantothenic Acid-13C3,15N Hemicalcium Salt

Analyte Name

D-Pantothenic acid-13C3,15N hemicalcium salt

CAS Number

356786-94-2

Molecular Formula

2 13C3 C6 H16 15N O5 . Ca

Molecular Weight

484.47

Accurate Mass

484.1825

SMILES

[Ca+2].CC(C)(CO)[C@@H](O)C(=O)[15NH][13CH2][13CH2][13C](=O)[O-].CC(C)(CO)[C@@H](O)C(=O)[15NH][13CH2][13CH2][13C](=O)[O-]

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/i2*3+1,4+1,6+1,10+1;

IUPAC

calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino](1,2,3-^{13}C_{3})propanoate

Alternate CAS Number

79-83-4

SIL Type

Carbon, Nitrogen

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)