2'-Deoxy-5-Ethylcytidine

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Properties Simple | Detailed

Formula C11H17N3O4+
IUPAC Name 4-amino-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 255.270 g·mol−1
Heat of Formation -678.2 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 298.55 Å 3
Surface Area 265.43 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-d-5-ethyl-2'-deoxycytidine
  • 4-amino-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
InChIKey CMZLCHVZCXOMIF-DJLDLDEBSA-N
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