1-O-(Carboxyacetyl)-5-Deoxy-5-(7,8-Dimethyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)-D-Ribitol

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Properties Simple | Detailed

Formula C20H22N4O9
IUPAC Name 3-[(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-6h-benzo[g]pteridine-1,5-diium-6-id-10-yl)-2,3,4-trihydroxy-pentoxy]-3-oxo-propanoate
Molecular Mass 462.410 g·mol−1
Heat of Formation -1447.8 ± 16.7 kJ·mol−1
Dipole Moment 9.31 ± 1.08 D
Volume 504.34 Å 3
Surface Area 433.2 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,3r,4r)-5-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-3-keto-propionic acid
  • 3-[(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid
  • 3-[(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-3-oxo-propanoic acid
  • 3-[(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid
  • 5'-malonylriboflavin
  • f1-x chromophore
  • riboflavin, 5'-(hydrogen propanedioate)
CAS Number(s)
  • 88623-79-4
InChIKey XNRSUGNJLHVYCT-IIYDPXPESA-N
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