(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[hydroxy(methyl)amino]purin-9-yl]oxolane-3,4-diol
PubChem CID: 101518
Connections displayed (default: 10).
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| Compound Synonyms | NSC 529863, SCHEMBL6375676 |
|---|---|
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[hydroxy(methyl)amino]purin-9-yl]oxolane-3,4-diol |
| Prediction Hob | 0.0 |
| Xlogp | -0.7 |
| Molecular Formula | C11H15N5O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FSJKXZCUNZIYPF-IOSLPCCCSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -1.023 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.705 |
| Compound Name | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[hydroxy(methyl)amino]purin-9-yl]oxolane-3,4-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 297.107 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.107 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 297.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.336023057142857 |
| Inchi | InChI=1S/C11H15N5O5/c1-15(20)9-6-10(13-3-12-9)16(4-14-6)11-8(19)7(18)5(2-17)21-11/h3-5,7-8,11,17-20H,2H2,1H3/t5-,7-,8-,11-/m1/s1 |
| Smiles | CN(C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Commiphora Mukul (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tanacetum Parthenium (Plant) Rel Props:Source_db:cmaup_ingredients