1-{4-[(6S,6Ar,7R)-3-Amino-6,7-Dimethyl-1-Oxo-1,2,5,6,6A,7-Hexahydro-8H-Imidazo[1,5-F]Pteridin-10-Ium-8-Yl]Phenyl}-1-Deoxy-5-O-(5-O-{[(1S)-1,3-Dicarboxypropoxy](Hydroxy)Phosphoryl}-α-D-Ribofuranosyl)-D-Ribitol

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Properties Simple | Detailed

Formula C31H46N6O16P
IUPAC Name (2s)-2-[[(2r,3s,4r,5s)-5-[(2r,3s,4s)-5-[4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4h-imidazo[3,4-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxypentanedioic acid
Molecular Mass 789.701 g·mol−1
Heat of Formation -2715.6 ± 16.7 kJ·mol−1
Dipole Moment 8.24 ± 1.08 D
Volume 861.45 Å 3
Surface Area 683.78 Å 2
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2r,3s,4r,5s)-5-[(2r,3s,4s)-5-[4-[(6s,6ar,7r)-3-amino-1-keto-6,7-dimethyl-5,6,6a,7-tetrahydro-4h-imidazo[3,4-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyglutaric acid
  • (2s)-2-[[(2r,3s,4r,5s)-5-[(2r,3s,4s)-5-[4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4h-imidazo[3,4-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid
  • (2s)-2-[[(2r,3s,4r,5s)-5-[(2r,3s,4s)-5-[4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4h-imidazo[3,4-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid
  • (2s)-2-[[(2r,3s,4r,5s)-5-[(2r,3s,4s)-5-[4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4h-imidazo[3,4-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxypentanedioic acid
  • 5,10-(methanylylidene)tetrahydromethanopterin
  • 5,10-methenyl-5,6,7,8-tetrahydromethanopterin
  • 5,10-methenyltetrahydromethanopterin
  • n(5),n(10)-methenyltetrahydromethanopterin
  • n5,n10-methenyltetrahydromethanopterin
InChIKey RANKJVUGLXUXOL-CAFBYHECSA-O
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