(R)-9-(2-Hydroxymethyl-4-Hydroxybutyl)Guanine

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Properties Simple | Detailed

Formula C10H22N5O3+
IUPAC Name 2-amino-9-[(2r)-4-hydroxy-2-(hydroxymethyl)butyl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 260.313 g·mol−1
Heat of Formation -294.6 ± 16.7 kJ·mol−1
Dipole Moment 9.36 ± 1.08 D
Volume 291.65 Å 3
Surface Area 267.24 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r)-4-hydroxy-2-(hydroxymethyl)butyl]-3h-purin-6-one
  • 2-amino-9-[(2r)-4-hydroxy-2-methylol-butyl]-3h-purin-6-one
  • 2-hmhbg
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxy-2-(hydroxymethyl)butyl)- (r)-;
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-[(2r)-4-hydroxy-2-(hydroxymethyl)butyl]-
  • 9-((r)-4-hydroxy-2-(hydroxymethyl)butyl)guanine
  • a-182091
  • abt-o91
  • omaciclovir
CAS Number(s)
  • 124265-89-0
InChIKey SCBFBAWJWLXVHS-ZCFIWIBFSA-N
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