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131673-40-0 | Uridine, 2',3'-dideoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)- (9CI)
CAS No: 131673-40-0 Catalog No: AG000ZK3 MDL No:
Product Description
Catalog Number:
AG000ZK3
Chemical Name:
Uridine, 2',3'-dideoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)- (9CI)
CAS Number:
131673-40-0
Molecular Formula:
C13H17N5O4
Molecular Weight:
307.3052
IUPAC Name:
1-[(2R,4S,5S)-4-(4,5-dimethyltriazol-1-yl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C13H17N5O4/c1-7-8(2)18(16-15-7)9-5-12(22-10(9)6-19)17-4-3-11(20)14-13(17)21/h3-4,9-10,12,19H,5-6H2,1-2H3,(H,14,20,21)/t9-,10+,12+/m0/s1
InChI Key:
JBCSWTXPGPEVHU-HOSYDEDBSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1n1nnc(c1C)C)n1ccc(=O)[nH]c1=O
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
307.128g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.31g/mol
Monoisotopic Mass:
307.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-human immunodeficiency virus (HIV-1) activity of 3'-deoxy-3'-(triazol-1-yl)thymidines and 2',3'-dideoxy-3'-(triazol-1-yl)uridines and inhibition of reverse transcriptase by their 5'-triphosphates. | Chemical & pharmaceutical bulletin 19900901 |
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