2-Amino-9-[(1S,3R,4S)-3-Hydroxy-4-(Hydroxymethyl)Cyclopentyl]-3,9-Dihydro-6H-Purin-6-One

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Formula C11H22N5O3+
IUPAC Name 2-amino-9-[(1s,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 272.324 g·mol−1
Heat of Formation -283.0 ± 16.7 kJ·mol−1
Dipole Moment 11.66 ± 1.08 D
Volume 301.27 Å 3
Surface Area 273.45 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-carbodeoxyguanosine
  • 2-amino-1,9-dihydro-9-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-6h-purine-6-one
  • 2-amino-9-[(1s,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3h-purin-6-one
  • 2-amino-9-[(1s,3r,4s)-3-hydroxy-4-methylol-cyclopentyl]-3h-purin-6-one
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-, (1alpha,3beta,4alpha)-(+-)-
  • carbocyclic 2'-deoxyguanosine
InChIKey ZEKJSNVOQKQOFO-LYFYHCNISA-N
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