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Details

Stereochemistry ACHIRAL
Molecular Formula C12H19N4O10P3S
Molecular Weight 504.286
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAMINE TRIPHOSPHORATE

SMILES

CC1=C(CCOP([O-])(=O)OP(O)(=O)OP(O)(O)=O)SC=[N+]1CC2=CN=C(C)N=C2N

InChI

InChIKey=IWLROWZYZPNOFC-UHFFFAOYSA-N
InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)

HIDE SMILES / InChI

Molecular Formula C12H19N4O10P3S
Molecular Weight 504.286
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
464M6AQ7IV
Record Status Validated (UNII)
Record Version