2-Amino-7-[(Z)-(2-Amino-4,6-Dioxo-4,5,6,8-Tetrahydro-7(1H)-Pteridinylidene)Methyl]-1,5-Dihydro-4,6-Pteridinedione

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Properties Simple | Detailed

Formula C13H10N10O4
IUPAC Name 2-amino-7-[(z)-(2-amino-4,6-dioxo-1h-pteridine-3,5,8-triium-7-ylidene)methyl]-1,5-dihydropteridine-3,8-diium-4a-ide-4,6-dione
Molecular Mass 370.283 g·mol−1
Heat of Formation -168.9 ± 16.7 kJ·mol−1
Dipole Moment 12.00 ± 1.08 D
Volume 370.11 Å 3
Surface Area 341.79 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-7-[(z)-(2-amino-4,6-diketo-5,8-dihydro-1h-pteridin-7-ylidene)methyl]-1,5-dihydropteridine-4,6-quinone
  • 2-amino-7-[(z)-(2-amino-4,6-dioxo-5,8-dihydro-1h-pteridin-7-ylidene)methyl]-1,5-dihydropteridine-4,6-dione
  • 4,6-pteridinedione, 2-amino-7-((2-amino-1,4,5,6-tetrahydro-4,6-dioxo-7-pteridinyl)methylene)-1,5,7,8-tetrahydro-
  • pterorhodin
CAS Number(s)
  • 6538-79-0
InChIKey STEFGLSLWLJVLH-IWQZZHSRSA-N
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