(2R,3S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID: 6708685
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| Compound Synonyms | Spectrum_001184, SpecPlus_000454, Spectrum2_001501, Spectrum3_001530, Spectrum4_001846, Spectrum5_000352, BSPBio_002920, KBioGR_002252, KBioSS_001664, DivK1c_006550, SCHEMBL593935, SPECTRUM1502238, SPBio_001541, KBio1_001494, KBio2_001664, KBio2_004232, KBio2_006800, KBio3_002420, CCG-38877, SDCCGMLS-0066719.P001, NCGC00178391-01, NCGC00178391-02 |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C10H13N5O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OLXZPDWKRNYJJZ-GFCOJPQKSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.639 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.916 |
| Compound Name | (2R,3S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 251.102 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 251.102 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 251.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2892251999999997 |
| Inchi | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7?/m0/s1 |
| Smiles | C1[C@@H]([C@H](OC1N2C=NC3=C(N=CN=C32)N)CO)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients