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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
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- Enterovirus (EV)
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- Antiviral intermediates
(1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-3-hydroxy-6-oxabicyclo[3.1.0]hexane
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| Category | Antiviral intermediates |
| CAS | 117641-39-1 |
| 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. |
Product Information
| Synonyms | (1S,2R,3S,5R)-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol; (1S,2R,3S,5R)-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol |
| IUPAC Name | (1S,2R,3S,5R)-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol |
| 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 |
| InChIKey | LPHHAQDOQOLDFK-XQHKEYJVSA-N |
| Boiling Point | 363.129 ℃ 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 ℃ |
| Complexity | 237 |
| Exact Mass | 220.109940 |
| Index Of Refraction | 1.579 |
| PSA | 41.99000 |
| Vapor Pressure | 0.0±0.9 mmHg at 25°C |
| XLogP3-AA | 1.1 |
