Vitamin B5-13C3,15N hemicalcium hemihydrate

Catalog No. :
ACGKST757
CAS No. :
2483830-09-5
Molecular Formula :
C18H34CaN2O11
Molecular Weight :
502.49

IUPAC Name:calcium (R)-3-(2,4-dihydroxy-3,3-dimethylbutanamido-15N)propanoate-1,2,3-13C3 hydrate

Vitamin B5-13C3,15N hemicalcium hemihydrate structure diagram
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Product Information

Product NameVitamin B5-13C3,15N hemicalcium hemihydrate
IUPAC Namecalcium (R)-3-(2,4-dihydroxy-3,3-dimethylbutanamido-15N)propanoate-1,2,3-13C3 hydrate
Molecular FormulaC18H34CaN2O11
Molecular Weight502.49
SMILESCC(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-].O.[Ca+2]
InChI KeyKUKRZUPDYACRAM-JNSRWXOBSA-L
SynonymVitamin B?, calcium salt·H?O (calcium pantothenate·H?O)(β-alanyl-13C?, 99%
CAS No.2483830-09-5

Synthetic Route by SureRoute

1. ACGKST757 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACGKST757 route product structure diagram
    ACGKST7572483830-09-5
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2. ACGKST757 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACGKST757 route product structure diagram
    ACGKST7572483830-09-5
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