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115365-27-0 | Uridine, 5-(2-chloroethyl)-2'-deoxy-, 5'-[hydrogen (carboxymethyl)phosphonate] (9CI)
CAS No: 115365-27-0 Catalog No: AG000GN3 MDL No:
Product Description
Catalog Number:
AG000GN3
Chemical Name:
Uridine, 5-(2-chloroethyl)-2'-deoxy-, 5'-[hydrogen (carboxymethyl)phosphonate] (9CI)
CAS Number:
115365-27-0
IUPAC Name:
2-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
InChI:
InChI=1S/C13H18ClN2O9P/c14-2-1-7-4-16(13(21)15-12(7)20)10-3-8(17)9(25-10)5-24-26(22,23)6-11(18)19/h4,8-10,17H,1-3,5-6H2,(H,18,19)(H,22,23)(H,15,20,21)/t8-,9+,10+/m0/s1
InChI Key:
OLKRUBDTCFHTEF-IVZWLZJFSA-N
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
412.044g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
412.716g/mol
Monoisotopic Mass:
412.044g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
Literature
| Title | Journal |
|---|---|
| Phosphonoformate and phosphonoacetate derivatives of 5-substituted 2'-deoxyuridines: synthesis and antiviral activity. | Journal of medicinal chemistry 19880901 |
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