Thymidine-alpha,alpha,alpha-t3
PubChem CID: 162681
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| Compound Synonyms | Thymidine-alpha,alpha,alpha-t3, 52497-68-4, Thymidine-methyl-t3, (5-Methyl-3H)-Thymidine, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(tritritiomethyl)pyrimidine-2,4-dione, DTXSID90200491, [3H]-Thymidine, THYMIDINE, [METHYL-3H], Thymidine-.alpha.,.alpha.,.alpha.-t3, thymine-(methyl-3-h), CHEMBL2067985, DTXCID90122982, IQFYYKKMVGJFEH-XZWYYBDSSA-N |
|---|---|
| Topological Polar Surface Area | 99.1 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 3.0 |
| Molecular Complexity | 381.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(tritritiomethyl)pyrimidine-2,4-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Is Pains | False |
| Molecular Formula | C10H14N2O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IQFYYKKMVGJFEH-XZWYYBDSSA-N |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Thymidine-alpha,alpha,alpha-t3 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 248.115 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 248.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 248.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.261358387159035 |
| Inchi | InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i1T3 |
| Smiles | [3H]C([3H])([3H])C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients