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83087-97-2

83087-97-2 | Uridine, 2'-S-ethyl-2'-thio-

CAS No: 83087-97-2 Catalog No: AG005C6H MDL No:

Product Description

Catalog Number:
AG005C6H
Chemical Name:
Uridine, 2'-S-ethyl-2'-thio-
CAS Number:
83087-97-2
Molecular Formula:
C11H16N2O5S
Molecular Weight:
288.3201
IUPAC Name:
1-[(2R,3R,4R,5R)-3-ethylsulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C11H16N2O5S/c1-2-19-9-8(16)6(5-14)18-10(9)13-4-3-7(15)12-11(13)17/h3-4,6,8-10,14,16H,2,5H2,1H3,(H,12,15,17)/t6-,8-,9-,10-/m1/s1
InChI Key:
CRKUWVCPWCOBRX-PEBGCTIMSA-N
SMILES:
CCS[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)CO

Properties

Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
288.078g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
288.318g/mol
Monoisotopic Mass:
288.078g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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