1-{6-[(2R)-1-Carboxy-2-Tridecanyl]-7,8-Dimethyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl}-1-Deoxy-5-O-Phosphono-D-Ribitol

Molecule SVG Image

Properties Simple | Detailed

Formula C31H48N4O11P
IUPAC Name (3r)-3-[7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]benzo[g]pteridine-1,5-diium-9a-id-6-yl]tetradecanoic acid
Molecular Mass 683.707 g·mol−1
Heat of Formation -2397.4 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 802.75 Å 3
Surface Area 677.12 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[2,4-diketo-7,8-dimethyl-10-[(2s,3s,4r)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]benzo[g]pteridin-6-yl]myristic acid
  • (3r)-3-[7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]benzo[g]pteridin-6-yl]tetradecanoic acid
  • (3r)-3-[7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4-trihydroxy-5-phosphonooxypentyl]-6-benzo[g]pteridinyl]tetradecanoic acid
  • 6-(3-tetradecanoic acid) flavine mononucleotide
  • myr-fmn
InChIKey ZMESPPGIOMLBCU-QPLRPWAESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N