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84574-81-2 | 2-Deoxy-5-vinylcytidine
CAS No: 84574-81-2 Catalog No: AG004R0G MDL No:
Product Description
Catalog Number:
AG004R0G
Chemical Name:
2-Deoxy-5-vinylcytidine
CAS Number:
84574-81-2
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
IUPAC Name:
4-amino-5-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C11H15N3O4/c1-2-6-4-14(11(17)13-10(6)12)9-3-7(16)8(5-15)18-9/h2,4,7-9,15-16H,1,3,5H2,(H2,12,13,17)/t7-,8+,9+/m0/s1
InChI Key:
XMXZVTAHPMDQDZ-DJLDLDEBSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=C)c(nc1=O)N
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Single ascending dose tolerability, pharmacokinetic-pharmacodynamic study of dihydropyrimidine dehydrogenase inhibitor Ro 09-4889. | Clinical cancer research : an official journal of the American Association for Cancer Research 20040401 |
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