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210469-25-3 | Thymidine, 2',3'-didehydro-3'-deoxy-α-ethoxy- (9CI)
CAS No: 210469-25-3 Catalog No: AG002KSR MDL No:
Product Description
Catalog Number:
AG002KSR
Chemical Name:
Thymidine, 2',3'-didehydro-3'-deoxy-α-ethoxy- (9CI)
CAS Number:
210469-25-3
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
IUPAC Name:
5-(ethoxymethyl)-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C12H16N2O5/c1-2-18-7-8-5-14(12(17)13-11(8)16)10-4-3-9(6-15)19-10/h3-5,9-10,15H,2,6-7H2,1H3,(H,13,16,17)/t9-,10+/m0/s1
InChI Key:
WJNOSXACZWODHM-VHSXEESVSA-N
SMILES:
CCOCc1cn([C@H]2C=C[C@H](O2)CO)c(=O)[nH]c1=O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
268.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.269g/mol
Monoisotopic Mass:
268.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Imidazo[1,5-b]pyridazine-d4T conjugates: synthesis and anti-human immunodeficiency virus evaluation. | Antiviral chemistry & chemotherapy 19980501 |
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