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114522-16-6 | 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-3,6-dihydro-
CAS No: 114522-16-6 Catalog No: AG000EM0 MDL No:
Product Description
Catalog Number:
AG000EM0
Chemical Name:
1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-3,6-dihydro-
CAS Number:
114522-16-6
Molecular Formula:
C8H14N4O4
Molecular Weight:
230.2212
IUPAC Name:
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
InChI:
InChI=1S/C8H14N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h4-6,13-14H,1-3H2,(H3,9,10,11,15)/t4-,5+,6-/m0/s1
InChI Key:
LAOLDMMWVYDDID-JKUQZMGJSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)N1CN=C(NC1=O)N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
230.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
230.224g/mol
Monoisotopic Mass:
230.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
Literature
| Title | Journal |
|---|---|
| 5,6-Dihydro-5-aza-2'-deoxycytidine potentiates the anti-HIV-1 activity of ribonucleotide reductase inhibitors. | Bioorganic & medicinal chemistry 20131115 |
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