N-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-N-[(2E)-3-{[(2Z)-2-{[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl](Formyl)Amino}-5-Hydroxy-2-Penten-3-Yl]Disulfanyl}-5-Hydroxy-2-Penten-2-Yl]Formamide

Molecule SVG Image

Properties Simple | Detailed

Formula C24H34N8O4S2
IUPAC Name (z)-4-[formyl-[(6-λ1-azanyl-2-methyl-4h-pyrimidin-1-ium-4-ylium-5-yl)methyl]amino]-3-[[(e)-2-[(6-λ1-azanyl-2-methyl-4h-pyrimidin-1-ium-4-ylium-5-yl)methyl-(oxomethyl)amino]-1-(2-oxidoethyl)prop-1-enyl]disulfanyl]pent-3-en-1-olate
Molecular Mass 562.708 g·mol−1
Heat of Formation -509.5 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 661.53 Å 3
Surface Area 506.02 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-n-[(z)-2-[(e)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl-4-hydroxy-1-methylbut-1-enyl]formamide
  • n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-[(z)-2-[(e)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl-4-hydroxy-1-methyl-but-1-enyl]formamide
  • n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-[(z)-3-[(e)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-hydroxy-pent-2-en-3-yl]disulfanyl-5-hydroxy-pent-2-en-2-yl]methanamide
  • n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-[(z)-3-[(e)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl-5-hydroxypent-2-en-2-yl]formamide
InChIKey GFEGEDUIIYDMOX-KBNZVFGVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N