5-Bromo-2'-Deoxycytidine

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Properties Simple | Detailed

Formula C9H12BrN3O4
IUPAC Name 4-amino-5-bromo-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-3-ium-2-one
Molecular Mass 306.113 g·mol−1
Heat of Formation -593.5 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 282.94 Å 3
Surface Area 255.09 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-bromo-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-5-bromo-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-5-bromo-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
  • 5-bromo-dcrd
InChIKey KISUPFXQEHWGAR-RRKCRQDMSA-N
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Elements H C O Br N