753005 logo
Thiamin Diphosphate
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • TDP
  • Thiamin Diphosphate
SMILES
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1
InChI
InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)
MOLECULAR FORMULA
C12H18N4O7P2S
CROSS REFERENCES
753005 logo

Thiamin Diphosphate

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 424.04
AlogP 0.21
HBond donors 4
HBond acceptors 11
Atoms 44
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Thiamin Diphosphate.