(1S,2R,3R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID: 11254104
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 130.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2R,3R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C11H15N5O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UGRNVLGKAGREKS-MTSNSDSCSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -1.532 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.687 |
| Compound Name | (1S,2R,3R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 265.117 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.117 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 265.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4197189157894732 |
| Inchi | InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8+,9-/m1/s1 |
| Smiles | C1[C@@H]([C@@H]([C@@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Viola Philippica (Plant) Rel Props:Source_db:cmaup_ingredients