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158665-42-0 | Uridine, 5-(3-amino-1-propyn-1-yl)-2'-deoxy-
CAS No: 158665-42-0 Catalog No: AG001QQR MDL No:
Product Description
Catalog Number:
AG001QQR
Chemical Name:
Uridine, 5-(3-amino-1-propyn-1-yl)-2'-deoxy-
CAS Number:
158665-42-0
Molecular Formula:
C12H15N3O5
Molecular Weight:
281.2646
IUPAC Name:
5-(3-aminoprop-1-ynyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C12H15N3O5/c13-3-1-2-7-5-15(12(19)14-11(7)18)10-4-8(17)9(6-16)20-10/h5,8-10,16-17H,3-4,6,13H2,(H,14,18,19)/t8-,9+,10+/m0/s1
InChI Key:
LVFHHYOTTYRBFU-IVZWLZJFSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#CCN)c(=O)[nH]c1=O
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
281.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
281.268g/mol
Monoisotopic Mass:
281.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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