Cas no 136-08-3 (Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-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]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)- structure
136-08-3 structure
Product Name:Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-
CAS No:136-08-3
MF:C12H19N4O7P2S
MW:425.314382791519
CID:1244727
PubChem ID:1132
Update Time:2025-04-20

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-
    • [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidophosphoryl] hydrogen phosphate,hydron
    • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[4,6,6-trihydroxy-4,6-dioxo-3,5-dioxa-4,6-diphospha(V)hexan-1-yl]thiazol-3-ium
    • Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-y
    • 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-[2-[(phosphonooxy)phosphonyloxy]ethyl]-4-methylthiazol-3-ium
    • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[[(phosphonooxy)phosphonyl]oxy]ethyl]-4-methylthiazol-3-ium
    • 3-(4-Amino-2-methyl-5-pyrimidinylmethyl)-5-[2-[(dihydroxyphosphinyloxy)hydroxyphosphinyloxy]ethyl]-4-methylthiazol-3-ium
    • AKOS015961391
    • thiamine diphosphate
    • 136-08-3
    • AYEKOFBPNLCAJY-UHFFFAOYSA-O
    • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, inner salt
    • Q415003
    • DTXSID2048404
    • 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy(phosphonooxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium
    • COCARBOXYLASE [WHO-DD]
    • thiamin pyrophosphate
    • NCGC00160617-03
    • ThDP
    • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
    • AC-13726
    • 1v11
    • CHEBI:9532
    • ThPP
    • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
    • THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(4,6,6-TRIHYDROXY-4,6-DIOXIDO-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)-
    • COCARBOXYLASE [MART.]
    • 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
    • BDBM92962
    • NS00070401
    • Thaimine pyrophosphate
    • CHEMBL1236376
    • C00068
    • thiamin-PPi
    • Pyrophosphoric ester of thiamine
    • 1olu
    • 1olx
    • 1ols
    • thiamine-PPi
    • starbld0000845
    • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[4,6,6-trihydroxy-4,6-dioxo-3,5-dioxa-4,6-diph
    • NCGC00160617-02
    • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium
    • 1v16
    • 1v1m
    • SCHEMBL80028
    • NCGC00160617-01
    • thiamin diphosphate
    • thiamine-pyrophosphate
    • thiamine(1+) diphosphate
    • BRD-A09994331-003-02-4
    • Inchi： 1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
    • InChI Key： AYEKOFBPNLCAJY-UHFFFAOYSA-O
    • SMILES： S1C=[N+](CC2=CN=C(C)N=C2N)C(C)=C1CCOP(=O)(O)OP(=O)(O)O

Computed Properties

  • Exact Mass: 425.04496913g/mol
  • Monoisotopic Mass: 425.04496913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 8
  • Complexity: 557
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 197?2

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)- Related Literature

Related Categories

136-08-3 (Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-) Related Products

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