5'-O-Methyladenosine
PubChem CID: 6480505
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| Compound Synonyms | 5'-O-methyladenosine, 139468-46-5, 20649-45-0, (2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-(methoxymethyl)tetrahydrofuran-3,4-diol, (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol, 5a(2)-O-Methyladenosine, SCHEMBL41361, CHEMBL2113536, (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol, MLFJPVLRZZMIIP-IOSLPCCCSA-N, DTXSID301315273, 2-(6-Amino-purin-9-yl)-5-methoxymethyl-tetrahydro-furan-3,4-diol, (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)tetrahydrofuran-3,4-diol |
|---|---|
| Topological Polar Surface Area | 129.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 349.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P25099, P30543, P0DMS8, P30542, n.a. |
| Iupac Name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT218 |
| Xlogp | -1.9 |
| Molecular Formula | C11H15N5O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MLFJPVLRZZMIIP-IOSLPCCCSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -1.588 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.802 |
| Compound Name | 5'-O-Methyladenosine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.112 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.112 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 281.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5281864000000005 |
| Inchi | InChI=1S/C11H15N5O4/c1-19-2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 |
| Smiles | COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Aulacocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anemone Flaccida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ardisia Neriifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aspidosperma Subincanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cryptocarya Aschersoniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Eupatorium Argentinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Guatteria Boliviana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Juniperus Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Peritassa Compta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Psiadia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Rheedia Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all