3'-[2-Carboxy-5-(Fluorosulfonyl)Phenyl]-2',3'-Dideoxyadenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C17H16FN5O6S
IUPAC Name 2-[(2s,3r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]-4-fluorosulfonyl-benzoic acid
Molecular Mass 437.402 g·mol−1
Heat of Formation -910.4 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 449.68 Å 3
Surface Area 383.52 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2',5'-dd3'-fsba
  • 2',5'-dideoxy-3'-(4-fluorosulfonylbenzoyl)adenosine
  • 2',5'-dideoxy-3'-p-fluorosulfonylbenzoyladenosine
  • 2',5'-dideoxyadenosine 3'-(4-(fluorosulfonyl)benzoate)
  • 2-[(2s,3r,5r)-5-(6-amino-9-purinyl)-2-(hydroxymethyl)-3-tetrahydrofuranyl]-4-fluorosulfonylbenzoic acid
  • 2-[(2s,3r,5r)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]-4-fluorosulfonyl-benzoic acid
  • 2-[(2s,3r,5r)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]-4-fluorosulfonylbenzoic acid
  • 2-[(2s,3r,5r)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]-4-fluorosulfonyl-benzoic acid
  • 2-[(2s,3r,5r)-5-(6-aminopurin-9-yl)-2-methylol-tetrahydrofuran-3-yl]-4-fluorosulfonyl-benzoic acid
  • 3'-(4-fluorosulfonylbenzoyl)-2',5'-dideoxyadenosine
  • adenosine, 2',5'-dideoxy-, 3'-(4-(fluorosulfonyl)benzoate)
CAS Number(s)
  • 121878-15-7
InChIKey VFBUFVROZIPIAW-JHJVBQTASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S