2'-dC B-D-threo
PubChem CID: 451823
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| Compound Synonyms | 2'-dC B-D-threo, 2'-deoxycytidine B-D-threo, 4251-19-8, DTXSID50195293, 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-beta-D-threo-pentofuranosyl)-, 2'-Deoxy-D-cytidine, SCHEMBL887491, CHEMBL5489113, DTXCID60117784, ND06286, EN300-23257447, 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-.beta.-D-threo-pentofuranosyl)-, 4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one, 4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one, 4-Amino-1-((2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one |
|---|---|
| Topological Polar Surface Area | 108.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.8 |
| Molecular Formula | C9H13N3O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CKTSBUTUHBMZGZ-ATRFCDNQSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -0.462 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.74 |
| Compound Name | 2'-dC B-D-threo |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 227.091 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 227.091 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 227.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5769639999999998 |
| Inchi | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6-,8-/m1/s1 |
| Smiles | C1[C@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euryale Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients