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75330-77-7 | Cytidine, 2'-thio-
CAS No: 75330-77-7 Catalog No: AG005C7F MDL No:
Product Description
Catalog Number:
AG005C7F
Chemical Name:
Cytidine, 2'-thio-
CAS Number:
75330-77-7
Molecular Formula:
C9H13N3O4S
Molecular Weight:
259.2822
IUPAC Name:
4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-sulfanyloxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(15)11-5)8-7(17)6(14)4(3-13)16-8/h1-2,4,6-8,13-14,17H,3H2,(H2,10,11,15)/t4-,6-,7-,8-/m1/s1
InChI Key:
XLIDRQROOQVAKO-XVFCMESISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)S)n1ccc(nc1=O)N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
259.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
259.28g/mol
Monoisotopic Mass:
259.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Deoxyribonucleoside 2'- or 3'-mixed disulfides: prodrugs to target ribonucleotide reductase and/or to inhibit HIV reverse transcription. | Journal of medicinal chemistry 20030619 |
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