Identitet

Thiamine triphosphoric acid ester

Ikke angivet · C12H19N4O10P3S

01Identitet

Lazychem ID	LC-53802
CAS RN	Ikke angivet
PubChem CID	18989
Molecular formula	C12H19N4O10P3S
Molecular weight	504.29 g/mol
IUPAC name	[[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
InChIKey	IWLROWZYZPNOFC-UHFFFAOYSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Thiamine triphosphoric acid ester — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	2
Secondary amines	0
Tertiary amines	0

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

03Stereochemistry

The published structure contains 0 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres3Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.