BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

D-Panthenol

D-Panthenol bmse000445 - Data

D-Panthenol synonyms

d-Pantothenyl alcohol; Thenalton; Panthenol; Bepanthen; Dexpanthenol (USP); Cozyme; (R)-2,4-Dihydroxy-3,3-dimethylbutyric 3-hydroxypropylamide; Ilopan (TN); Dexpanthenol; D-(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide; Panadon

Wikipedia:

Graphical representations:

D-Panthenol

View large 3D structure

Molecular Formula: C9H19NO4

Natural Isotopic Abundance Mass: 205.25146

Mono-Isotopic Molecular Masses:

  • C12N14: 205.1314081035
  • C13N14: 214.1616016437
  • C12N15: 206.1284429967
  • C13N15: 215.1586365369

InChI string: InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1

PubChem Compound (CID): 131204
CAS Registry number: 81-13-0
Sigma-Aldrich: 76200_FLUKA
ChemBank: SPBio_002004
DiscoveryGate: 733846
ZINC: ZINC01530303
PDSP: Prestwick_529
KEGG Compound ID: C05944

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)