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Chemical structure of Thiamine pyrophosphate-d3

GC70355

Thiamine pyrophosphate-d3

Also known as 2-[3-[[4-amino-2-(trideuteriomethyl)pyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate chloride

Thiamine pyrophosphate-d3 is the deuterium labeled Thiamine pyrophosphate

ChemicalCAS2483831-79-2MW463.79FormulaC12H16D3ClN4O7P2S
CAS number
2483831-79-2
Molecular weight
463.79
Formula
C12H16D3ClN4O7P2S
InChIKey
YXVCLPJQTZXJLH-MUTAZJQDSA-N
Catalogue number
GC70355
Brand
GLPBIO
Computed properties PubChem CID 139026228 · TPSA 197 Ų · H-bond donors 4 · H-bond acceptors 12
TPSA
197 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
27

SMILES [2H]C([2H])([2H])C1=NC=C(C(=N1)N)C[N+]2=CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]

Computed descriptors from PubChem (CID 139026228), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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