S-[(2Z)-2-{Formyl[(2-Methyl-6-Oxo-1,6-Dihydro-5-Pyrimidinyl)Methyl]Amino}-5-Hydroxy-2-Penten-3-Yl] (2Z)-2-{Formyl[(2-Methyl-6-Oxo-1,6-Dihydro-5-Pyrimidinyl)Methyl]Amino}-5-Hydroxy-2-Pentene-3-Sulfinothioate

Molecule SVG Image

Properties Simple | Detailed

Formula C24H34N6O7S2
IUPAC Name n-[(z)-2-[(r)-[(z)-2-[formyl-[(2-methyl-6-oxo-1h-pyrimidin-3-ium-5-id-5-yl)methyl]amino]-1-(2-hydroxyethyl)prop-1-enyl]sulfinyl]sulfanyl-4-hydroxy-1-methyl-but-1-enyl]-n-[(2-methyl-6-oxo-1h-pyrimidin-3-ium-5-id-5-yl)methyl]formamide
Molecular Mass 582.693 g·mol−1
Heat of Formation -1041.7 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 666.95 Å 3
Surface Area 464.2 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
InChIKey MGJFQANYAQBYHO-GILFAJLKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N