Cas no 130272-39-8 (Guanosine5'-(trihydrogen diphosphate), P'-a-D-arabinopyranosyl ester)

Guanosine5'-(trihydrogen diphosphate), P'-a-D-arabinopyranosyl ester structure
130272-39-8 structure
Product Name:Guanosine5'-(trihydrogen diphosphate), P'-a-D-arabinopyranosyl ester
CAS No:130272-39-8
MF:C15H23N5O15P2
MW:575.315145730972
CID:198852
PubChem ID:135783058
Update Time:2025-04-19

Guanosine5'-(trihydrogen diphosphate), P'-a-D-arabinopyranosyl ester Chemical and Physical Properties

Names and Identifiers

    • Guanosine5'-(trihydrogen diphosphate), P'-a-D-arabinopyranosyl ester
    • [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate
    • guanidine diphosphate-arabinopyranose
    • [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
    • Gdp-ara
    • Gdp-arabinopyranose
    • Gdp-D-arabinopyranoside
    • Guanosine 5'-(trihydrogen diphosphate), P-alpha-D-arabinopyranosyl ester
    • 130272-39-8
    • [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate
    • DTXSID40156434
    • Inchi: 1S/C15H23N5O15P2/c16-15-18-11-6(12(26)19-15)17-3-20(11)13-9(24)8(23)5(33-13)2-32-36(27,28)35-37(29,30)34-14-10(25)7(22)4(21)1-31-14/h3-5,7-10,13-14,21-25H,1-2H2,(H,27,28)(H,29,30)(H3,16,18,19,26)/t4-,5-,7-,8-,9-,10+,13-,14-/m1/s1
    • InChI Key: YMGVYRGWAJJYOU-AUAPHEICSA-N
    • SMILES: P(=O)(O)(OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O

Computed Properties

  • Exact Mass: 575.067
  • Monoisotopic Mass: 575.067
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 8
  • Complexity: 1010
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.2
  • Topological Polar Surface Area: 307?2

Experimental Properties

  • Density: 2.53
  • Boiling Point: 1024.7°Cat760mmHg
  • Flash Point: 573.5°C
  • Refractive Index: 1.898
  • PSA: 332.10000
  • LogP: -3.64700
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