2-Amino-6-{(S)-Hydroxy[(4R)-2-Hydroxy-2-Oxido-1,3,2-Dioxaphospholan-4-Yl]Methyl}-4(1H)-Pteridinone

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Properties Simple | Detailed

Formula C9H11N5O6P+
IUPAC Name 2-amino-6-[(s)-hydroxy-[(4r)-2-hydroxy-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclopent-4-yl]methyl]-1h-pteridin-4-one
Molecular Mass 316.187 g·mol−1
Heat of Formation -1059.3 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 306.39 Å 3
Surface Area 280.03 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-6-[(s)-hydroxy-[(4r)-2-hydroxy-2-keto-1,3-dioxa-2$l^{5}-phosphacyclopent-4-yl]methyl]-1h-pteridin-4-one
  • 4(1h)-pteridinone, 2-amino-6-(hydroxy(2-hydroxy-1,3,2-dioxaphospholan-4-yl)methyl)-, p-oxide, (r-(r*,s*))-
  • d-erythro-neopterin 2',3'-cyclic phosphate
  • neopterin 2',3'-cyclic phosphate
CAS Number(s)
  • 35068-28-1
InChIKey DLYMRFGSJSAQEH-XINAWCOVSA-N
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