(6R)-2-Amino-6-[(2S)-2-Hydroxypropanoyl]-5,6,7,8-Tetrahydro-4(1H)-Pteridinone

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Properties Simple | Detailed

Formula C9H13N5O3
IUPAC Name (6r)-2-amino-6-[(2s)-2-hydroxypropanoyl]-5,6,7,8-tetrahydro-1h-pteridin-4-one
Molecular Mass 239.231 g·mol−1
Heat of Formation -308.8 ± 16.7 kJ·mol−1
Dipole Moment 9.31 ± 1.08 D
Volume 266.41 Å 3
Surface Area 246.39 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-2-amino-6-[(2s)-2-hydroxy-1-oxopropyl]-5,6,7,8-tetrahydro-1h-pteridin-4-one
  • (6r)-2-amino-6-[(2s)-2-hydroxypropanoyl]-5,6,7,8-tetrahydro-1h-pteridin-4-one
  • (6r)-2-amino-6-lactoyl-5,6,7,8-tetrahydro-1h-pteridin-4-one
  • 1-propanone, 1-(2-amino-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)-2-hydroxy-, (s-(r*,s*))-
  • tetrahydrosepiapterin
CAS Number(s)
  • 87622-51-3
InChIKey HKCYZTKHPLJZDR-IUYQGCFVSA-N
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