2-(α-Hydroxyethyl)thiamine diphosphate
CAS Registry Number®
10055-47-7
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CAS Name
2-(α-Hydroxyethyl)thiamine diphosphateMolecular Formula
C14H23N4O8P2SCite 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 ) (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
