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124743-30-2 | Cytidine, 5-chloro-2',3'-didehydro-2',3'-dideoxy-
CAS No: 124743-30-2 Catalog No: AG000MOX MDL No:
Product Description
Catalog Number:
AG000MOX
Chemical Name:
Cytidine, 5-chloro-2',3'-didehydro-2',3'-dideoxy-
CAS Number:
124743-30-2
Molecular Formula:
C9H10ClN3O3
Molecular Weight:
243.6470
IUPAC Name:
4-amino-5-chloro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H10ClN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m0/s1
InChI Key:
KOERXKFNWWUHEL-CAHLUQPWSA-N
SMILES:
Nc1nc(=O)n(cc1Cl)[C@@H]1O[C@@H](C=C1)CO
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
243.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.647g/mol
Monoisotopic Mass:
243.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Anti-hepatitis B virus activity and metabolism of 2',3'-dideoxy-2',3'-didehydro-beta-L(-)-5-fluorocytidine. | Antimicrobial agents and chemotherapy 19980701 |
| Synthesis and anti-HIV evaluation of 2',3'-dideoxyribo-5-chloropyrimidine analogues: reduced toxicity of 5-chlorinated 2',3'-dideoxynucleosides. | Journal of medicinal chemistry 19900601 |
| 2',3'-didehydro-2',3'-dideoxy-5-chlorocytidine is a selective anti-retrovirus agent. | Biochemical and biophysical research communications 19891115 |
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