![(1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-3-hydroxy-6-oxabicyclo[3.1.0]hexane](https://resource.bocsci.com/structure/117641-39-1.gif)
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| IUPAC Name: | (1S,2R,3S,5R)-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol |
| Description: | (1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-3-hydroxy-6-oxabicyclo[3.1.0]hexane (CAS# 117641-39-1) is an impurity of Entecavir (E558900), an oral antiviral drug used in the treatment of hepatitis B infection. A guanine analogue that inhhibits all three steps in the viral replication process. |
| Molecular Weight: | 220.26 |
| Molecular Formula: | C13H16O3 |
| Canonical SMILES: | C1C(C(C2C1O2)COCC3=CC=CC=C3)O |
| InChI: | InChI=1S/C13H16O3/c14-11-6-12-13(16-12)10(11)8-15-7-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+,12-,13+/m1/s1 |
| InChI Key: | LPHHAQDOQOLDFK-XQHKEYJVSA-N |
| Boiling Point: | 363.129 °C at 760 mmHg |
| Flash Point: | 173.4±22.3 °C |
| Purity: | 0.98 |
| Density: | 1.222 g/cm3 |
| Solubility: | In vitro: 10 mM in DMSO |
| Appearance: | Solid powder |
| Storage: | Sealed in dry, 2-8 °C |
| LogP: | 1.35140 |
| Vapor Pressure: | 0.0±0.9 mmHg at 25°C |
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