N-6-Isopent-2-enyl-adenosine
PubChem CID: 157009864
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| Compound Synonyms | N-6-Isopent-2-enyl-adenosine |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | USVMJSALORZVDV-OXUWNYNTSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | N-6-Isopent-2-enyl-adenosine |
| Description | N-6-isopent-2-enyl-adenosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). N-6-isopent-2-enyl-adenosine can be found in wild celery, which makes N-6-isopent-2-enyl-adenosine a potential biomarker for the consumption of this food product. |
| Exact Mass | 335.159 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 335.159 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 461.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 335.36 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3R,4S,5S)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m0/s1 |
| Smiles | CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)C |
| Xlogp | 1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H21N5O4 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all