2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine
CAS NO. 161599-46-8
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To begin with, let us tell you what is the basic information of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8 ?
Molecular Formula |
C13H16FN3O6 |
Molecular Weight |
329.281 |
Flash Point |
212.3±31.5 °C |
Boiling Point |
427.4±55.0 °C at 760 mmHg |
Density |
1.6±0.1 g/cm3 |
Melting Point |
196-198?C |
Like many stuff, it has many synonyms as follows
2,3-Di-O-Acetyl-5-Deoxy-5-Fuluro-D-Cytidine |
2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine |
[(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate |
5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine |
T6NVNJ DZ EF A- BT5OTJ COV1 DOV1 E1 &&Ribo-β-D Form |
Cytidine, 5'-deoxy-5-fluoro-, 2',3'-diacetate |
1-(2,3-Di-O-acetyl-5-deoxy-β-D-ribofuranosyl)-5-fluoro-4-imino-1,4-dihydro-2-pyrimidinol |
2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine |
2-Pyrimidinol, 1-(2,3-di-O-acetyl-5-deoxy-β-D-ribofuranosyl)-5-fluoro-1,4-dihydro-4-imino- |
First, the chemical is very special, some technical indexes as below
Computational Chemistry Data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond receptors: 7
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 3
6. Topological molecule polarity surface area: 121
7. Number of heavy atoms: 23
8. Surface charge: 0
9. Complexity: 605
10. Isotope atomic number: 0
11. Determine the number of atomic structure centers: 4
12. Number of uncertain atomic structure centers: 0
13. Determine the number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Second, the Synthetic Route we will recommend is the most important for your reference?
First, synthesis line of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8 as follows
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Method:
Third, what is the usage of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8 ? pleas see below
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Main Usage:
Used for the intermediates of pharmaceuticals and as an intermediate in organic synthesis
Other usages as below
Can be used for the synthsis of the chemical 5'-Deoxy-5-fluorocytidine ,Cas No.: 66335-38-4
Can be used for the synthsis of the chemical, N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3,4,5-trimethoxybenzamide
Cas No.: 124012-42-6
Can be used for the synthsis of the chemical capecitabine,Cas No.:. 154361-50-9
Besides Safety Information of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8 is also important when handling it
Hazard Codes |
Xi |
WGK Germany |
3 |
H.S.Code: |
2934999090 |
TSCA |
Yes |
HazardClass |
IRRITANT |
What is the appearance of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8? Please see the picture of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8, below
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Specification of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8, is below
Appearance: white to light-yellow powder.
Assay: 98 % min by HPLC
IR identity: conform
Water:0.5% max by K.F.
HNMR picture of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8 is as follows,
Reference of Article cited for your reference below,
(1)
54918-13-7; [(2R,3S,5R)-2-Cyano-5-(5-Fluoro-2,4-Dioxo-Pyrimidin-1-ylOxolan-3-Yl] Acetate; 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile 3-acetate; beta-D-erythro-Pentofuranurononitrile, 1,2-dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, 3-acetate
Compound CID: 150624
Neighbor Type: 2D+3D
Annotation Types Count: 1
(2)
3'-Azido-2',3'-dideoxy-5-fluorocytidine; 3'-N3-5-F-ddC; 87190-80-5; CHEMBL1791028; SCHEMBL15642936; ...
Compound CID: 451394
Neighbor Type: 2D+3D
Annotation Types Count: 4
(3)
Publication Name: Journal of Chemical Crystallography
Publication Date: 2008-11-08