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Cas Database |
| Name |
2'-Deoxy-2'-fluoroguanosine |
EINECS | 1806241-263-5 |
| CAS No. | 78842-13-4 | Density | 2.17±0.1 g/cm3(Predicted) |
| PSA | 140.27000 | LogP | -1.36710 |
| Solubility | N/A | Melting Point |
262-264 °C(Solv: water (7732-18-5)) |
| Formula | C10H12 F N5 O4 | Boiling Point | N/A |
| Molecular Weight | 285.235 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2'-Deoxy-2'-fluoroguanosine;9-(2-Deoxy-2-fluoro-b-D-ribofuranosyl)guanine |
Article Data | 28 |
2'-Deoxy-2'-fluoroguanosine Synthetic route
- 134444-47-6
2,6-diamino-9-(2-deoxy-2-fluoro-β-D-ribofuranosyl)-9H-purine
- 78842-13-4
2'-deoxy-2'-fluoroguanosine
| Conditions | Yield |
|---|---|
| In water for 20h; Ambient temperature; adenosine deaminase; | 83% |
| With ADase Substitution; |
- 80681-25-0
2’-fluoro-N2-isobutyryl-2’-deoxyguanosine
- 78842-13-4
2'-deoxy-2'-fluoroguanosine
| Conditions | Yield |
|---|---|
| With ammonia at 20℃; for 16h; | 80% |
| With ammonium hydroxide at 55℃; for 24h; Yield given; |
A
- 80980-30-9
2'-chloro-2'-deoxyguanosine
B
- 78842-13-4
2'-deoxy-2'-fluoroguanosine
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In pyridine at 50℃; for 3h; | A n/a B 44% |
- 78842-13-4
2'-deoxy-2'-fluoroguanosine
| Conditions | Yield |
|---|---|
| With ammonia In methanol at 0℃; for 24h; | 13% |
- 78842-12-3
N2-isobutyryl-3'-O,5'-O-bis(tetrahydrofuranyl)-2'-deoxy-2'-fluoroguanosine
- 78842-13-4
2'-deoxy-2'-fluoroguanosine
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; acetic acid 1.) pyridine, 50 deg C, 3 h; 2.) H2O, 30 deg C, 2 h; Yield given. Multistep reaction; |
- 149623-91-6
1-O-acetyl-3,5-di-O-benzoyl-2-deoxy-2-fluoro-β-D-ribofuranoside
A
- 78842-13-4
2'-deoxy-2'-fluoroguanosine
| Conditions | Yield |
|---|---|
| Multistep reaction; |
- 10212-20-1
2'-deoxy-2'-fluorocytidine
- 78842-13-4
2'-deoxy-2'-fluoroguanosine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: E. coli BMT-4D/1A 2: ADase View Scheme |
- 1904-98-9
2,6-diaminopurine
- 78842-13-4
2'-deoxy-2'-fluoroguanosine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: E. coli BMT-4D/1A 2: ADase View Scheme | |
| Multi-step reaction with 2 steps 1: E. coli BMT-4D/1A 2: ADase View Scheme |
- 56287-17-3, 69123-94-0, 784-71-4
2'-deoxy-2'-fluorouridine
- 78842-13-4
2'-deoxy-2'-fluoroguanosine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: E. coli BMT-4D/1A 2: ADase View Scheme |
- 38819-10-2
9-β-D-arabinofuranosylguanine
- 78842-13-4
2'-deoxy-2'-fluoroguanosine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 1.) TMSCl, pyridine, 3.) NH4OH 2: TsOH / dioxane 3: DMAP / CH2Cl2 4: TBAF / tetrahydrofuran 5: Dowex-50 / methanol 6: NH4OH / 24 h / 55 °C View Scheme | |
| Multi-step reaction with 10 steps 1: 1.) TMSCl, pyridine, 3.) NH4OH 2: pyridine 4: HF*pyridine 5: TsOH / dioxane 6: NaOH / pyridine; methanol 7: DMAP / CH2Cl2 8: TBAF / tetrahydrofuran 9: Dowex-50 / methanol 10: NH4OH / 24 h / 55 °C View Scheme |
2'-Deoxy-2'-fluoroguanosine Chemical Properties
Molecule structure of 2'-Deoxy-2'-fluoroguanosine (CAS NO.78842-13-4):
IUPAC Name: 2-Amino-9-[(2R,3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
Molecular Weight: 285.231783 [g/mol]
Molecular Formula: C10H12FN5O4
Index of Refraction: 1.876
Molar Refractivity: 59.82 cm3
Molar Volume: 131 cm3
Surface Tension: 98.5 dyne/cm
Density: 2.17 g/cm3
Flash Point: 392.9 °C
Enthalpy of Vaporization: 111.3 kJ/mol
Boiling Point: 726.1 °C at 760 mmHg
Vapour Pressure: 3.94E-22 mmHg at 25 °C
XLogP3: -1.2
H-Bond Donor: 4
H-Bond Acceptor: 8
Rotatable Bond Count: 2
Tautomer Count: 9
Exact Mass: 285.087332
MonoIsotopic Mass: 285.087332
Topological Polar Surface Area: 135
Heavy Atom Count: 20
Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)F)NC(=NC2=O)N
Isomeric SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)NC(=NC2=O)N
InChI: InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
InChIKey of 2'-Deoxy-2'-fluoroguanosine (CAS NO.78842-13-4): UXUZARPLRQRNNX-DXTOWSMRSA-N
2'-Deoxy-2'-fluoroguanosine Specification
2'-Deoxy-2'-fluoroguanosine (CAS NO.78842-13-4) is also named as 2-Amino-9-(2-deoxy-2-fluoro-beta-D-ribofuranosyl)-9H-purin-6-ol ; 9H-Purin-6-ol, 2-amino-9-(2-deoxy-2-fluoro-beta-D-ribofuranosyl)- ; 2-Amino-9-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one ; 2'-Dfgs ; Guanosine, 2'-deoxy-2'-fluoro- .
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