TDM

2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE



Chemical Component Summary

Name2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
Synonyms2-HYDROXYETHYLTHIAMIN DIPHOSPHATE
Identifiers2-[(2E)-3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
FormulaC14 H22 N4 O8 P2 S
Molecular Weight468.359
TypeNON-POLYMER
Isomeric SMILESCc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C
InChIInChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/b14-9+
InChIKeyZZLCKFKIIVXBQU-NTEUORMPSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count1
Bond Count52
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 6518185