Adenosine diphosphate-D-ribose
PubChem CID: 146879505
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| Compound Synonyms | adenosine diphosphate ribose, Adenosine diphosphate-D-ribose |
|---|---|
| Topological Polar Surface Area | 292.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | SRNWOUGRCWSEMX-MRUDJCSFSA-N |
| Rotatable Bond Count | 9.0 |
| Heavy Atom Count | 36.0 |
| Compound Name | Adenosine diphosphate-D-ribose |
| Description | Adenosine diphosphate-d-ribose is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Adenosine diphosphate-d-ribose can be found in mung bean, which makes adenosine diphosphate-d-ribose a potential biomarker for the consumption of this food product. |
| Exact Mass | 559.072 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 559.072 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 876.0 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 559.32 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14?,15-/m1/s1 |
| Smiles | C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N |
| Xlogp | -6.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H23N5O14P2 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Radiata (Plant) Rel Props:Source_db:fooddb_chem_all