5'-O-Thiophosphonoinosine

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Properties Simple | Detailed

Formula C10H13N4O7PS
IUPAC Name 9-[(2r,3r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3h-purin-6-one
Molecular Mass 364.272 g·mol−1
Heat of Formation -1244.2 ± 16.7 kJ·mol−1
Dipole Moment 14.07 ± 1.08 D
Volume 365.67 Å 3
Surface Area 310.36 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-deoxy-5'-thioinosine 5'-monophosphate
  • 5'-inosinic acid, 5'-thio-
  • 5'-thio-5'-inosinic acid
  • 9-[(2r,3r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-3,4-dihydroxy-2-tetrahydrofuranyl]-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-3,4-dihydroxy-oxolan-2-yl]-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-3,4-dihydroxyoxolan-2-yl]-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-5-(dihydroxythiophosphoryloxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3h-purin-6-one
  • ismp
CAS Number(s)
  • 21959-63-7
  • 21982-03-6
InChIKey GEIYZNFNTVEVJJ-KQYNXXCUSA-N
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