5'-Methylthio adenosine
PubChem CID: 10248282
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5'-methylthio adenosine, CHEMBL2113468, SCHEMBL10600584, BDBM81786 |
|---|---|
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 455.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P25099, P30543, P0DMS8, P28647 |
| Iupac Name | (2R,3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT218 |
| Xlogp | 1.7 |
| Molecular Formula | C16H23N5O3S |
| Prediction Swissadme | 1.0 |
| Inchi Key | IRSFOARXPSIPGE-XNIJJKJLSA-N |
| Fcsp3 | 0.6875 |
| Logs | -3.457 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.921 |
| Compound Name | 5'-Methylthio adenosine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 365.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 365.152 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 365.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.094345800000001 |
| Inchi | InChI=1S/C16H23N5O3S/c1-25-6-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-3-5-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 |
| Smiles | CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4CCCC4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all