2-Amino-7-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Pyrrolidinyl]-1,5-Dihydro-4H-Pyrrolo[3,2-D]Pyrimidin-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C11H16N5O4
IUPAC Name 2-amino-7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-1-ium-4a-id-4-one
Molecular Mass 282.276 g·mol−1
Heat of Formation -556.0 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 310.01 Å 3
Surface Area 276.57 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-dideoxy-1,4-imino-1-(s)-(9-deazaguanin-9-yl)-d-ribitol
  • 2-amino-7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 2-amino-7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-methylol-pyrrolidin-2-yl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • img
  • immucillin-g
InChIKey KBIDJCVAURJXFG-PVEDRDFWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N