| MDL Number | MFCD00146622 |
| Appearance | White to off white solid |
| Synonyms | Adenosine, 3-deaza-; MLS003106659; 1-.beta.-d-Arabinofuranosyl-1H-imidazo[4,5-c]pyridin-4-amine; NSC167897; NSC-167897; 1H-Imidazo[4, 4-amino-1-.beta.-D-ribofuranosyl-; 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol; SMR001 |
| Storage | Store at 2-8°C |
| Shipping | Wet ice |
| IUPAC Name | 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| INCHI | InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13) |
| InChi Key | DBZQFUNLCALWDY-UHFFFAOYSA-N |
| Canonical SMILES | C1=CN=C(C2=C1N(C=N2)C3C(C(C(O3)CO)O)O)N |
| Isomeric SMILES | C1=CN=C(C2=C1N(C=N2)C3C(C(C(O3)CO)O)O)N |
| WGK Germany | 3 |
| Reaxy-Rn | 24730589 |
| Sensitivity | Moisture sensitive. Heat Sensitive. |
| Molecular Weight | 266.250 g/mol |
| XLogP3 | -1.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 266.102 Da |
| Monoisotopic Mass | 266.102 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 19 |
| Complexity | 334 |
| Undefined Atom Stereocenter Count | 4 |
| Covalently-Bonded Unit Count | 1 |
| Particle size | 40-160 μm |
| Absorption Capacity | 100-130 mg/mL |
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Our products and services are for research use only and cannot be used for any clinical purposes.
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