Entecavir

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Formula C12H22N5O3+
IUPAC Name 2-amino-9-[(1s,3r,4s)-4-hydroxy-3-(hydroxymethyl)-2-methylene-cyclopentyl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 284.335 g·mol−1
Heat of Formation -194.2 ± 16.7 kJ·mol−1
Dipole Moment 14.03 ± 1.08 D
Volume 317.58 Å 3
Surface Area 279.56 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(1s,3r,4s)-4-hydroxy-2-methylene-3-methylol-cyclopentyl]-3h-purin-6-one
  • 2-amino-9-[(1s,3r,4s)-4-hydroxy-3-(hydroxymethyl)-2-methylene-cyclopentyl]-3h-purin-6-one
  • 2-amino-9-[(1s,3r,4s)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-3h-purin-6-one
  • 2-amino-9-[(1s,3r,4s)-4-hydroxy-3-(hydroxymethyl)-2-methylidene-cyclopentyl]-3h-purin-6-one
  • 2-amino-9-[(1s,3r,4s)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3h-purin-6-one
  • 6-h-purin-6-one-,2-amino-1,9-dihydro-9-[(1s,3r,4s)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]
  • bms-200475
  • etv
  • sq-34676
CAS Number(s)
  • 142217-69-4
InChIKey QDGZDCVAUDNJFG-FXQIFTODSA-N
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