4′-Phosphopantothenic acid

CAS Registry Number®

5875-50-3

CAS Name

4′-Phosphopantothenic acid

Molecular Formula

C9H18NO8P

Molecular Mass

299.21

Cite this Page

4′-Phosphopantothenic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5875-50-3 (retrieved 2024-11-21) (CAS RN: 5875-50-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1

InChIKey

InChIKey=XHFVGHPGDLDEQO-ZETCQYMHSA-N

SMILES

[C@@H](C(COP(=O)(O)O)(C)C)(C(NCCC(O)=O)=O)O

Canonical SMILES

O=C(O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O

Other Names for this Substance

  • β-Alanine, N-[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-
  • Pantothenic acid, 4-(dihydrogen phosphate), D-
  • β-Alanine, N-[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-, (R)-
  • Pantothenic acid 4′-phosphate
  • Pantothenic acid, 4′-(dihydrogen phosphate)

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration