N6-(4-Hydroxybenzyl)-adenosine
PubChem CID: 10474479
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| Compound Synonyms | N6-(4-Hydroxybenzyl)-adenosine, 110505-75-4, n6-(4-hydroxybenzyl)adenosine, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol, N6-(4-hydroxybenzyl)adenine riboside, CHEMBL224024, N-[(4-hydroxyphenyl)methyl]adenosine, N6-(4-Hydroxybenzyl)adenosine (NHBA), p-Topolin riboside, PARA-TOPOLIN RIBOSIDE, p-Topolin Riboside, N-[(4-Hydroxyphenyl)methyl]adenosine, (2R,3R,4S,5R)-2-(6-((4-Hydroxybenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, SCHEMBL639446, N6-(p-hydroxybenzyl)-adenosine, DTXSID00440568, UGVIXKXYLBAZND-LSCFUAHRSA-N, BDBM50208945, AKOS016007097, CS-5067, N6-(4-Hydroxybenzyl) adenine riboside, NT30291, NCGC00484059-01, HY-18775, MS-26025, PARA-TOPOLIN RIBOSIDE 99% (HPLC), DB-335320, F85288, 6-(p-hydroxybenzylamino)-9-beta-d-ribofuranosylpurine, N6-(4-Hydroxybenzyl) adenine riboside, >=98% (HPLC), N6-(4-Hydroxybenzyl)adenosine, 6-(4-Hydroxybenzylamino)-9-b-D-ribofuranosylpurine, T9R |
|---|---|
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P30543, n.a. |
| Iupac Name | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol |
| Prediction Hob | 0.0 |
| Xlogp | 0.8 |
| Molecular Formula | C17H19N5O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UGVIXKXYLBAZND-LSCFUAHRSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -2.476 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.122 |
| Compound Name | N6-(4-Hydroxybenzyl)-adenosine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 373.139 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 373.139 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 373.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7084989111111115 |
| Inchi | InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1 |
| Smiles | C1=CC(=CC=C1CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all