5-Deoxy-5-(7,8-Dimethyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)-L-Ribonic Acid

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Properties Simple | Detailed

Formula C17H19N4O7
IUPAC Name (2s,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentanoic acid
Molecular Mass 391.355 g·mol−1
Heat of Formation -1064.7 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 421.03 Å 3
Surface Area 362.8 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -2.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s)-5-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-valeric acid
  • (2s,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentanoic acid
  • (2s,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentanoic acid
  • (2s,3s,4s)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentanoic acid
  • 5-deoxy-5-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2h)-yl)-l-ribonic acid
  • 7,8-dimethyl-10-(2,3,4-trihydroxy-4-carboxybutyl)isoalloxazine
  • vitamin b2 acid
CAS Number(s)
  • 59224-03-2
InChIKey ZHEHPTDHYQQKJR-DRZSPHRISA-N
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