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1496551-77-9 | D-Alanine, N-[[P(R),2'R]-2'-chloro-2'-deoxy-2'-methyl-P-phenyl-5'-uridylyl]-, 1-methylethyl ester
CAS No: 1496551-77-9 Catalog No: AG001LW3 MDL No:
Product Description
Catalog Number:
AG001LW3
Chemical Name:
D-Alanine, N-[[P(R),2'R]-2'-chloro-2'-deoxy-2'-methyl-P-phenyl-5'-uridylyl]-, 1-methylethyl ester
CAS Number:
1496551-77-9
IUPAC Name:
propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
InChI:
InChI=1S/C22H29ClN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16-,18-,20-,22-,36-/m1/s1
InChI Key:
SFPFZQKYPOWCSI-KHFYHRBSSA-N
UNII:
JW31KPS26S
Properties
Complexity:
913
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
545.133g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
545.91g/mol
Monoisotopic Mass:
545.133g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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