2-Amino-9-[(2R,3R,4S)-3,4-Bis(Hydroxymethyl)-2-Oxetanyl]-3,9-Dihydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H13N5O4
IUPAC Name 2-amino-9-[(2r,3r,4s)-3,4-bis(hydroxymethyl)oxetan-2-yl]-3h-purin-6-one
Molecular Mass 267.241 g·mol−1
Heat of Formation -367.7 ± 16.7 kJ·mol−1
Dipole Moment 13.29 ± 1.08 D
Volume 290.58 Å 3
Surface Area 258.81 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,3r,4s)-3,4-bis(hydroxymethyl)-2-oxetanyl]-3h-purin-6-one
  • 2-amino-9-[(2r,3r,4s)-3,4-bis(hydroxymethyl)oxetan-2-yl]-3h-purin-6-one
  • 2-amino-9-[(2r,3r,4s)-3,4-dimethyloloxetan-2-yl]-3h-purin-6-one
  • 6h-purin-6-one, 2-amino-9-(3,4-bis(hydroxymethyl)-2-oxetanyl)-1,9-dihydro-, (2r-(2alpha,3beta,4alpha))-
  • 6h-purin-6-one, 2-amino-9-[(2r,3r,4s)-3,4-bis(hydroxymethyl)-2-oxetanyl]-1,9-dihydro-
  • 9-(2-deoxy-2-hydroxymethyl-.beta.-d-erythro-oxetanosyl)guanosine
  • oxetanocin g
  • oxt-g
  • oxt. g
CAS Number(s)
  • 113269-46-8
InChIKey BCSLVBZWCFTDPK-UDJQAZALSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N