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141171-21-3 | 5'-Thymidylic acid, 3'-azido-3'-deoxy-, monoanhydride with imidodiphosphoric acid (9CI)
CAS No: 141171-21-3 Catalog No: AG001G02 MDL No:
Product Description
Catalog Number:
AG001G02
Chemical Name:
5'-Thymidylic acid, 3'-azido-3'-deoxy-, monoanhydride with imidodiphosphoric acid (9CI)
CAS Number:
141171-21-3
IUPAC Name:
[[(2R,3S,5R)-3-azido-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinimyl] phosphono hydrogen phosphate
InChI:
InChI=1S/C10H17N6O13P3/c1-5-3-16(9(18)13-8(5)17)7-2-10(19,14-15-11)6(27-7)4-26-30(12,20)28-32(24,25)29-31(21,22)23/h3,6-7,19H,2,4H2,1H3,(H2,12,20)(H,24,25)(H,13,17,18)(H2,21,22,23)/t6-,7-,10+,30?/m1/s1
InChI Key:
YOZFBZNJTVVASG-GESYZPOASA-N
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
522.007g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
522.196g/mol
Monoisotopic Mass:
522.007g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
260A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-2.2
Literature
| Title | Journal |
|---|---|
| New thymidine triphosphate analogue inhibitors of human immunodeficiency virus-1 reverse transcriptase. | Journal of medicinal chemistry 19920529 |
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