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1445385-02-3 | Cytidine, 4'-C-(chloromethyl)-2'-deoxy-2'-fluoro-, 3',5'-bis(2-methylpropanoate)
CAS No: 1445385-02-3 Catalog No: AG001JPQ MDL No:
Product Description
Catalog Number:
AG001JPQ
Chemical Name:
Cytidine, 4'-C-(chloromethyl)-2'-deoxy-2'-fluoro-, 3',5'-bis(2-methylpropanoate)
CAS Number:
1445385-02-3
Molecular Formula:
C18H25ClFN3O6
Molecular Weight:
433.8590
IUPAC Name:
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
InChI:
InChI=1S/C18H25ClFN3O6/c1-9(2)15(24)27-8-18(7-19)13(28-16(25)10(3)4)12(20)14(29-18)23-6-5-11(21)22-17(23)26/h5-6,9-10,12-14H,7-8H2,1-4H3,(H2,21,22,26)/t12-,13+,14-,18-/m1/s1
InChI Key:
MJVKYGMNSQJLIN-KYZVSKTDSA-N
SMILES:
ClC[C@]1(COC(=O)C(C)C)O[C@H]([C@@H]([C@@H]1OC(=O)C(C)C)F)n1ccc(nc1=O)N
UNII:
BNW5PQ52G1
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
433.142g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.861g/mol
Monoisotopic Mass:
433.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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