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125422-08-4 | Uridine, 2'-deoxy-5-(1-octyn-1-yl)-
CAS No: 125422-08-4 Catalog No: AG000NOB MDL No:
Product Description
Catalog Number:
AG000NOB
Chemical Name:
Uridine, 2'-deoxy-5-(1-octyn-1-yl)-
CAS Number:
125422-08-4
Molecular Formula:
C17H24N2O5
Molecular Weight:
336.3829
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oct-1-ynylpyrimidine-2,4-dione
InChI:
InChI=1S/C17H24N2O5/c1-2-3-4-5-6-7-8-12-10-19(17(23)18-16(12)22)15-9-13(21)14(11-20)24-15/h10,13-15,20-21H,2-6,9,11H2,1H3,(H,18,22,23)/t13-,14+,15+/m0/s1
InChI Key:
VNEIDGLVUYVVJS-RRFJBIMHSA-N
SMILES:
CCCCCCC#Cc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
336.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.388g/mol
Monoisotopic Mass:
336.169g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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