Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Fiacitabine |
EINECS | N/A |
CAS No. | 69123-90-6 | Density | 2.44 g/cm3 |
PSA | 110.60000 | LogP | -0.40000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H11FIN3O4 | Boiling Point | 524.6 °C at 760 mmHg |
Molecular Weight | 371.107 | Flash Point | 271.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(2-Deoxy-2-fluoro-b-D-arabinofuranosyl)-5-iodocytosine;1-b-D-2'-Fluoroarabino-5-iodocytosine;2'-Fluoro-5-iodo-1-b-D-arabinofuranosylcytosine;FIAC;FOAC;Fiacitabine;NSC 382097; |
Article Data | 5 |
The Fiacitabine is an organic compound with the formula C9H11FIN3O4. The IUPAC name of this chemical is 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one. With the CAS registry number 69123-90-6, it is also named as 1-(2-Deoxy-2-fluoro-b-D-arabinofuranosyl)-5-iodocytosine. The product's classification codes are Anti-Infective Agents; Antineoplastic agents; Antiviral; Antiviral agents; Drug / Therapeutic Agent; Mutation data.
Physical properties about Fiacitabine are: (1)ACD/LogP: -0.27; (2)ACD/LogD (pH 5.5): -0.27; (3)ACD/LogD (pH 7.4): -0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.01; (7)ACD/KOC (pH 7.4): 17.01; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 63.6 Å2; (12)Index of Refraction: 1.791; (13)Molar Refractivity: 64.31 cm3; (14)Molar Volume: 151.6 cm3; (15)Polarizability: 25.49×10-24cm3; (16)Surface Tension: 79.1 dyne/cm; (17)Density: 2.44 g/cm3; (18)Flash Point: 271.1 °C; (19)Enthalpy of Vaporization: 91.88 kJ/mol; (20)Boiling Point: 524.6 °C at 760 mmHg; (21)Vapour Pressure: 3.37E-13 mmHg at 25°C.
Uses of Fiacitabine: it can be used to produce 4-amino-1-(2-fluoro-b-D-2-deoxy-arabinofuranosyl)-1H-pyrimidin-2-one. It will need reagent H2, conc. aq. NH4OH, catalyst 10 percent Pd/C and solvent ethanol with reaction time of 2 hours. The yield is about 81%.
You can still convert the following datas into molecular structure:
(1)SMILES: IC=1\C(=N/C(=O)N(C=1)[C@@H]2O[C@@H]([C@@H](O)[C@@H]2F)CO)\N
(2)InChI: InChI=1/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/m1/s1
(3)InChIKey: GIMSJJHKKXRFGV-BYPJNBLXBA
(4)Std. InChI: InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/m1/s1
(5)Std. InChIKey: GIMSJJHKKXRFGV-BYPJNBLXSA-N