9-Ribosylzeatin
PubChem CID: 161606
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| Compound Synonyms | 9-ribosylzeatin, Zeatin riboside, 28542-78-1, DTXSID00891556, AKOS030240776, NS00014570, Q27109360, 6-(4-hydroxy-3-methylbut-2-enylamino)-9-beta-d-ribofuranosylpurine, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolane-3,4-diol |
|---|---|
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolane-3,4-diol |
| Prediction Hob | 0.0 |
| Xlogp | -0.1 |
| Molecular Formula | C15H21N5O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GOSWTRUMMSCNCW-SDBHATRESA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -1.708 |
| Rotatable Bond Count | 6.0 |
| Logd | -0.456 |
| Compound Name | 9-Ribosylzeatin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 351.154 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 351.154 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 351.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8006506000000004 |
| Inchi | InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1 |
| Smiles | CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients