2-(α-Hydroxyethyl)thiamine diphosphate

CAS Registry Number®

10055-47-7

CAS Name

2-(α-Hydroxyethyl)thiamine diphosphate

Molecular Formula

C14H23N4O8P2S

Cite this Page

2-(α-Hydroxyethyl)thiamine diphosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10055-47-7 (retrieved 2024-12-22) (CAS RN: 10055-47-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=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/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1

InChIKey

InChIKey=RRUVJGASJONMDY-UHFFFAOYSA-O

SMILES

C([N+]1=C(C(C)O)SC(CCOP(OP(=O)(O)O)(=O)O)=C1C)C=2C(N)=NC(C)=NC2

Canonical SMILES

O=P(O)(O)OP(=O)(O)OCCC=1SC(=[N+](C1C)CC2=CN=C(N=C2N)C)C(O)C

Other Names for this Substance

  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-
  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxyethyl)-5-(2-hydroxyethyl)-4-methyl-, 5-(trihydrogen pyrophosphate)
  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, P,P′-dioxide
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium
  • 2-(α-Hydroxyethyl)thiamine diphosphate

CAS INSIGHTSTM
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