2-Amino-7-[(1S,2R)-1,2-Dihydroxypropyl]-4(1H)-Pteridinone

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Properties Simple | Detailed

Formula C9H12N5O3+
IUPAC Name 2-amino-7-[(1s,2r)-1,2-dihydroxypropyl]pteridin-1-ium-3-id-4-one
Molecular Mass 238.223 g·mol−1
Heat of Formation -295.0 ± 16.7 kJ·mol−1
Dipole Moment 5.93 ± 1.08 D
Volume 258.96 Å 3
Surface Area 242.49 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-7-[(1s,2r)-1,2-dihydroxypropyl]-1h-pteridin-4-one
  • 4(1h)-pteridinone, 2-amino-7-(1,2-dihydroxypropyl)-, (r-(r*,s*))-
  • 7-isoneopterin
  • anapterin
  • d-erythro-7-isoneopterin
CAS Number(s)
  • 13019-53-9
InChIKey LNXRKRFGNHXANN-AWFVSMACSA-N
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