6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
PubChem CID: 1549017
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| Topological Polar Surface Area | 153.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 544.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | 6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one |
| Prediction Hob | 0.0 |
| Xlogp | -3.0 |
| Molecular Formula | C10H13N5O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MIKUYHXYGGJMLM-GIMIYPNGSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.192 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.573 |
| Compound Name | 6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 283.092 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 283.092 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 283.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9466127999999998 |
| Inchi | InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m0/s1 |
| Smiles | C1=NC2=C(NC(=O)N=C2N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)N |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Croton Tiglium (Plant) Rel Props:Source_db:cmaup_ingredients