9-beta-D-Ribofuranosylxanthine
PubChem CID: 1189
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| Compound Synonyms | 9-.beta.-D-Ribofuranosylxanthine, .beta.-D-Ribofuranoside, xanthine-9, 9-pentofuranosyl-3,9-dihydro-1H-purine-2,6-dione, MFCD00005726, SCHEMBL6676995, CHEMBL1880013, SCHEMBL21602879, 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione, NSC18930, STK246877, STK681920, 9-pentofuranosyl-9H-purine-2,6-diol, AKOS005422623, AKOS005596524, NCGC00161976-01, LS-13790, SY073035, NS00007495, L000880, SR-01000091574, SR-01000091574-1, 1H-Purine-2, 3,9-dihydro-9-.beta.-D-ribofuranosyl-, Z2651719377, 9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-hydroxy-3H-purin-2(9H)-one?NSC 18930, STK246877, STK681920 |
|---|---|
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | UBORTCNDUKBEOP-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Substituent Name | Purine ribonucleoside, Alkaloid or derivatives, Xanthine, N-glycosyl compound, Glycosyl compound, Purinone, 6-oxopurine, Purine, Imidazopyrimidine, Pyrimidone, Pyrimidine, N-substituted imidazole, Monosaccharide, Saccharide, Heteroaromatic compound, Vinylogous amide, Oxolane, Imidazole, Azole, Urea, Secondary alcohol, Lactam, 1,2-diol, Oxacycle, Azacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Organonitrogen compound, Alcohol, Aromatic heteropolycyclic compound |
| Synonyms | &beta, -D-Ribofuranoside, xanthine-9, 1H-Purine-2,6-dione, 3, 9-dihydro-9-&beta, -D-ribofuranosyl-, 1H-Purine-2,6-dione, 3,9-dihydro-9-beta-D-ribofuranosyl-, 3,9-Dihydro-9-b-D-ribofuranosyl-1H-purine-2,6-dione, 3,9-Dihydro-9-beta-delta-ribofuranosyl-1H-purine-2,6-dione, 3,9-Dihydro-9-D-ribofuranosyl-1H-purine-2,6-dione, 3,9-Dihydro-9-delta-ribofuranosyl-1H-purine-2,6-dione, 9-&beta, -D-Ribofuranosylxanthine, 9-b-D-Ribofuranosylxanthine, 9-beta-D-ribofuranosyl-3,9-dihydro-1H-purine-2,6-dione, 9-beta-D-Ribofuranosylxanthine, 9-beta-delta-Ribofuranosylxanthine, 9-D-Ribofuranosylxanthine, 9-delta-Ribofuranosylxanthine, beta-D-Ribofuranoside, xanthine-9, Xanthine riboside |
| Heavy Atom Count | 20.0 |
| Compound Name | 9-beta-D-Ribofuranosylxanthine |
| Kingdom | Organic compounds |
| Description | Biological Source: Production by guanine-free mutants of bacteria e.g. Bacillus subtilis, Aerobacter aerogenesand is also reported from seeds of Trifolium alexandrinum Physical Description: Prismatic cryst. (H2O) (Chemnetbase) The deamination product of guanosine, Xanthosine monophosphate is an intermediate in purine metabolism, formed from IMP, and forming GMP., Xanthylic acid can be used in quantitative measurements of the Inosine monophosphate dehydrogenase enzyme activities in purine metabolism, as recommended to ensure optimal thiopurine therapy for children with acute lymphoblastic leukaemia (ALL). (PMID: 16725387). Xanthosine is found in many foods, some of which are calabash, rambutan, apricot, and pecan nut. |
| Exact Mass | 284.076 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.076 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 284.23 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Purine nucleosides |
| Inchi | InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19) |
| Smiles | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O |
| Xlogp | -2.4 |
| Superclass | Nucleosides, nucleotides, and analogues |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H12N4O6 |
- 1. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all