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123533-11-9 | Thymidine, 3'-deoxy-3'-(formylamino)- (9CI)
CAS No: 123533-11-9 Catalog No: AG000KQX MDL No:
Product Description
Catalog Number:
AG000KQX
Chemical Name:
Thymidine, 3'-deoxy-3'-(formylamino)- (9CI)
CAS Number:
123533-11-9
Molecular Formula:
C11H15N3O5
Molecular Weight:
269.2539
IUPAC Name:
N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]formamide
InChI:
InChI=1S/C11H15N3O5/c1-6-3-14(11(18)13-10(6)17)9-2-7(12-5-16)8(4-15)19-9/h3,5,7-9,15H,2,4H2,1H3,(H,12,16)(H,13,17,18)/t7-,8+,9+/m0/s1
InChI Key:
KYWJLEBKGOENJD-DJLDLDEBSA-N
SMILES:
O=CN[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
269.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.257g/mol
Monoisotopic Mass:
269.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of 3'-heterocyclic substituted 3'-deoxythymidines. | Journal of medicinal chemistry 19900201 |
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