I-Erythritol

I-Erythritol bmse000095 - Data bmst000092 - Theory

I_erythritol synonyms

Erythrol (VAN); 1,2,3,4-Butanetetrol, (R*,S*)-; Erythrit; Paycite; Phycitol; meso-Erythritol; L-Erythritol; Erythrite; Erythritol; Phycite; Antierythrite

Wikipedia:

Graphical representations:

i_erythritol

View large 3D structure

Molecular Formula: C4H10O4

Natural Isotopic Abundance Mass: 122.1198000000

Mono-Isotopic Molecular Masses:

  • C12N14: 122.057908809
  • C13N14: 126.071328161
  • C12N15: 122.057908809
  • C13N15: 126.071328161

InChI string: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+

IUPAC: butane-1,2,3,4-tetrol

PubChem Compound (CID): 8998
KEGG Compound ID: C00503
CAS Registry number: 10030-58-7 149-32-6 188346-77-2
ChEBI: 17113
EINECS: 205-737-3
CCRIS: 7901
NSC: 8099
PDB Compound ID: DTL MRY

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)