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 |
| Heavy Atom Count | 20.0 |
| 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione |
| Nih Violation | False |
| Class | Purine nucleosides |
| Xlogp | -2.4 |
| Superclass | Nucleosides, nucleotides, and analogues |
| Is Pains | False |
| Molecular Formula | C10H12N4O6 |
| Inchi Key | UBORTCNDUKBEOP-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| 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 |
| 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 |
| Compound Name | 9-beta-D-Ribofuranosylxanthine |
| Kingdom | Organic compounds |
| Exact Mass | 284.076 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 284.076 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 284.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all