Home Carbonyls Cytidine, 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-, 2',3'-diacetate

Cytidine, 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-, 2',3'-diacetate

CAS No.:
162204-20-8
Catalog Number:
AG001SVK
Molecular Formula:
C19H26FN3O8
Molecular Weight:
443.4234
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Product Description
Catalog Number:
AG001SVK
Chemical Name:
Cytidine, 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-, 2',3'-diacetate
CAS Number:
162204-20-8
Molecular Formula:
C19H26FN3O8
Molecular Weight:
443.4234
MDL Number:
MFCD07369303
IUPAC Name:
[(2R,3R,4R,5R)-4-acetyloxy-5-[5-fluoro-2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]-2-methyloxolan-3-yl] acetate
InChI:
InChI=1S/C19H26FN3O8/c1-5-6-7-8-28-19(27)22-16-13(20)9-23(18(26)21-16)17-15(31-12(4)25)14(10(2)29-17)30-11(3)24/h9-10,14-15,17H,5-8H2,1-4H3,(H,21,22,26,27)/t10-,14-,15-,17-/m1/s1
InChI Key:
WMJHGZFQHPCWQZ-GWBBYGMBSA-N
SMILES:
CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)C
EC Number:
700-593-2
UNII:
GN7Y8CG66K
Properties
Complexity:
784  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
443.17g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
443.428g/mol
Monoisotopic Mass:
443.17g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties