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1H-Benzimidazole,5,6-dimethyl-1-(5-O-phosphono-a-D-ribofuranosyl)- | 975-91-7

Product name:1H-Benzimidazole,5,6-dimethyl-1-(5-O-phosphono-a-D-ribofuranosyl)-

CAS No:975-91-7
MF:C14H19N2O7P
MW:358.28366
CID:805165
PubChem ID:444941
Names and Identifiers
  • 1H-Benzimidazole,5,6-dimethyl-1-(5-O-phosphono-a-D-ribofuranosyl)-
  • [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • N(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole
  • DB02030
  • alpha-ribazole 5'-phosphate
  • N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole
  • SCHEMBL1533890
  • Benzimidazole, 5,6-dimethyl-1-alpha-D-ribofuranosyl-, 5'-phosphate
  • {[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
  • TT4G266KJN
  • DTXSID10243007
  • 1H-Benzimidazole, 5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-
  • ALPHA-RIBAZOLE-5'-PHOSPHATE
  • alpha-ribazole-5'-PO4
  • N(1)-(5-Phosphoribosyl)-5,6-dimethylbenzimidazole
  • alpha-ribazole-5'-P
  • n1-(5-phospho-alpha-d-ribosyl)-5,6-dimethylbenzimidazole
  • CHEBI:16837
  • RBZ
  • 5,6-Dimethyl-1-alpha-D-ribofuranosylbenzimidazole 5'-phosphate
  • 5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole
  • N1-(5-Phospho-alpha-delta-ribosyl)-5,6-dimethylbenzimidazole
  • 975-91-7
  • C04778
  • UNII-TT4G266KJN
  • NS00070104
  • Q27102105
  • InChIKey:ZMRGXEJKZPRBPJ-SYQHCUMBSA-N
  • Inchi:InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1
  • SMILES:CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 358.093
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Rotatable Bond Count: 4
  • Monoisotopic Mass: 358.093
  • Heavy Atom Count: 24
  • Complexity: 504
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: -1.1
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 134Ų

Experimental Properties

  • LogP: 0.38160
  • PSA: 144.08000
  • Refractive Index: 1.703
  • Boiling Point: 691°C at 760 mmHg
  • Flash Point: 371.7°C
  • Density: 1.73
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