N,N'-{Disulfanediylbis[(2Z)-5-Hydroxy-2-Pentene-3,2-Diyl]}Bis{N-[(2-Methyl-6-Oxo-1,6-Dihydro-5-Pyrimidinyl)Methyl]Formamide}

Molecule SVG Image

Properties Simple | Detailed

Formula C24H34N6O6S2
IUPAC Name n-[(z)-2-[[(z)-2-[formyl-[(2-methyl-6-oxo-1h-pyrimidin-3-ium-5-id-5-yl)methyl]amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl]-4-hydroxy-1-methyl-but-1-enyl]-n-[(2-methyl-6-oxo-1h-pyrimidin-3-ium-5-id-5-yl)methyl]formamide
Molecular Mass 566.693 g·mol−1
Heat of Formation -903.5 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 633.63 Å 3
Surface Area 435.64 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • formamide, n,n'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethanediyl))bis(n-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-
  • n-[(z)-2-[(z)-2-[formyl-[(2-methyl-4-oxo-3h-pyrimidin-5-yl)methyl]amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl-4-hydroxy-1-methyl-but-1-enyl]-n-[(2-methyl-4-oxo-3h-pyrimidin-5-yl)methyl]formamide
  • n-[(z)-2-[(z)-2-[formyl-[(2-methyl-4-oxo-3h-pyrimidin-5-yl)methyl]amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl-4-hydroxy-1-methylbut-1-enyl]-n-[(2-methyl-4-oxo-3h-pyrimidin-5-yl)methyl]formamide
  • n-[(z)-2-[(z)-2-[formyl-[(4-keto-2-methyl-3h-pyrimidin-5-yl)methyl]amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl-4-hydroxy-1-methyl-but-1-enyl]-n-[(4-keto-2-methyl-3h-pyrimidin-5-yl)methyl]formamide
  • n-[(z)-5-hydroxy-3-[(z)-5-hydroxy-2-[methanoyl-[(2-methyl-4-oxo-3h-pyrimidin-5-yl)methyl]amino]pent-2-en-3-yl]disulfanyl-pent-2-en-2-yl]-n-[(2-methyl-4-oxo-3h-pyrimidin-5-yl)methyl]methanamide
  • oxythiamine disulfide
CAS Number(s)
  • 134028-70-9
InChIKey ZZMATIJKHGBBLK-BMJUYKDLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N