2'-Chloro-2'-Deoxyuridine 5'-(Trihydrogen Diphosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C9H13ClN2O11P2++
IUPAC Name [(2r,3r,4r,5r)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 422.607 g·mol−1
Heat of Formation -2594.4 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 391.97 Å 3
Surface Area 329.07 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-chloro-2'-deoxyuridine 5'-diphosphate
  • 2'-chloro-2'-dudp
  • 2'-chloro-2-deoxy-udp
  • [(2r,3r,4r,5r)-4-chloro-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3r,4r,5r)-4-chloro-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3r,4r,5r)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3r,4r,5r)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • uridine 5'-(trihydrogen diphosphate), 2'-chloro-2'-deoxy-
CAS Number(s)
  • 40111-66-8
InChIKey WGHTVAKXVHPEEP-XVFCMESISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N P