Thiamine monophosphate disulfide

[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl]disulfanyl]pent-3-enyl] dihydrogen phosphate

Also Known As: Thiamine monophosphate disulfide|Disulfanediylbis(2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}pent-2-ene-3,5-diyl) bis[dihydrogen (phosphate)]

Molecular Formula	C24H36N8O10P2S2
Molecular Weight	722.1471 g/mol
LogP	2.51
Topological Polar Surface Area	277.74 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	19
Exact Mass	722.1471
Heavy Atoms	46
Complexity	1439.2

Chemical Identifiers

CAS Number	992-46-1
SMILES	CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)(O)O)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCOP(=O)(O)O)C