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162239-35-2

162239-35-2 | 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-β-L-erythro-pentofuranosyl)-5-iodo-

CAS No: 162239-35-2 Catalog No: AG001SX3 MDL No:

Product Description

Catalog Number:
AG001SX3
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-β-L-erythro-pentofuranosyl)-5-iodo-
CAS Number:
162239-35-2
Molecular Formula:
C9H11IN2O5
Molecular Weight:
354.0985
IUPAC Name:
1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
InChI:
InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5?,6-,7-/m0/s1
InChI Key:
XQFRJNBWHJMXHO-BYRXKDITSA-N
SMILES:
OC[C@@H]1O[C@@H](C[C@H]1O)n1cc(I)c(=O)[nH]c1=O

Properties

Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
353.971g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
354.1g/mol
Monoisotopic Mass:
353.971g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  

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