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| IUPAC Name: | (2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one |
| Description: | 2,2'-Anhydrouridine (CAS# 3736-77-4) is a research tool for anticancer and antiviral studies. |
| Molecular Weight: | 226.19 |
| Molecular Formula: | C9H10N2O5 |
| Canonical SMILES: | C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O |
| InChI: | InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1 |
| InChI Key: | UUGITDASWNOAGG-CCXZUQQUSA-N |
| Boiling Point: | 456.3 ℃ at 760 mmHg |
| Melting Point: | 239-240 ℃ |
| Flash Point: | 229.8±31.5 °C |
| Purity: | 98 % |
| Density: | 2.0±0.1 g/cm3 |
| Solubility: | In Vitro: DMSO: 25 mg/mL(110.53 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (11.05 mM); Clear solution 2.Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: 2.5 mg/mL (11.05 mM); Suspended solution; Need ultrasonic 3.Add each solvent one by one: 10% DMSO >> 90% corn oil Solubility: ≥ 2.5 mg/mL (11.05 mM); Clear solution |
| Appearance: | White to off-white (Solid) |
| Storage: | Store at RT |
| LogP: | -1.74510 |
| Vapor Pressure: | 0.0±2.5 mmHg at 25°C |
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