2-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-1,4-Anhydro-2,3-Dideoxy-L-Threo-Pentitol

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Properties Simple | Detailed

Formula C10H13N5O3
IUPAC Name 2-amino-9-[(3r,5r)-5-(hydroxymethyl)tetrahydrofuran-3-yl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 251.242 g·mol−1
Heat of Formation -218.6 ± 16.7 kJ·mol−1
Dipole Moment 10.02 ± 1.08 D
Volume 278.54 Å 3
Surface Area 260.44 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (3r-cis)-2-amino-1,9-dihydro-9-[tetrahydro-5-(hydroxymethyl)-3-furanyl]-6h-purin-6-one
  • 2-amino-9-[(3r,5r)-5-(hydroxymethyl)-3-tetrahydrofuranyl]-3h-purin-6-one
  • 2-amino-9-[(3r,5r)-5-(hydroxymethyl)oxolan-3-yl]-3h-purin-6-one
  • 2-amino-9-[(3r,5r)-5-(hydroxymethyl)tetrahydrofuran-3-yl]-3h-purin-6-one
  • 2-amino-9-[(3r,5r)-5-methyloltetrahydrofuran-3-yl]-3h-purin-6-one
  • carbocyclic 3'-oxa-2',3'-dideoxyguanosine
  • coddg
  • iso-ddg
  • l-threo-pentitol, 2-(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)-1,4-anhydro-2,3-dideoxy-
  • ro 24-5671
CAS Number(s)
  • 133804-87-2
InChIKey PBBIOTZCKPNHNV-PHDIDXHHSA-N
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