2-Amino-6-[(1S,2R)-1,2,3-Trihydroxypropyl]-7,8-Dihydro-4(1H)-Pteridinone

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Formula C9H13N5O4
IUPAC Name 2-amino-6-[(1s,2r)-1,2,3-trihydroxypropyl]-7,8-dihydro-1h-pteridine-3,5-diium-8a-id-4-one
Molecular Mass 255.231 g·mol−1
Heat of Formation -489.3 ± 16.7 kJ·mol−1
Dipole Moment 10.58 ± 1.08 D
Volume 275.53 Å 3
Surface Area 258.17 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-6-[(1s,2r)-1,2,3-trihydroxypropyl]-7,8-dihydro-1h-pteridin-4-one
  • 2-amino-6-[(1s,2r)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(3h)-one
  • 2-amino-7,8-dihydro-6-(1,2,3-trihydroxypropyl)-4(1h)-pteridinone
  • 4(1h)-pteridinone, 2-amino-7,8-dihydro-6-[(1s,2r)-1,2,3-trihydroxypropyl]-
  • 7,8-dihydroneopterin
  • npr
CAS Number(s)
  • 1218-98-0
InChIKey YQIFAMYNGGOTFB-XINAWCOVSA-N
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