6-Chloro-1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-1H-Pyrrolo[3,2-C]Pyridin-4-Amine

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Properties Simple | Detailed

Formula C12H14ClN3O3
IUPAC Name (2r,3s,5s)-5-(4-amino-6-chloro-pyrrolo[3,2-c]pyridin-1-ium-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 283.711 g·mol−1
Heat of Formation -397.9 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 306.59 Å 3
Surface Area 281.18 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5s)-5-(4-amino-6-chloro-1-pyrrolo[3,2-c]pyridinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3s,5s)-5-(4-amino-6-chloro-pyrrolo[3,2-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
  • (2r,3s,5s)-5-(4-amino-6-chloro-pyrrolo[3,2-c]pyridin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,5s)-5-(4-amino-6-chloro-pyrrolo[3,2-c]pyridin-1-yl)-2-methylol-tetrahydrofuran-3-ol
  • (2r,3s,5s)-5-(4-amino-6-chloropyrrolo[3,2-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
  • 1h-pyrrolo(3,2-c)pyridin-4-amine, 6-chloro-1-(2-deoxy-beta-d-erythro-pentofuramosyl)-
  • 2-cddda
  • 2-chloro-2'-deoxy-3,7-dideazaadenosine
CAS Number(s)
  • 114915-05-8
InChIKey VGSYBVJUWVMTES-NGZCFLSTSA-N
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Elements H C N O Cl