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851218-14-9

851218-14-9 | Adenosine, 2'-deoxy-N-(hydroxyacetyl)-

CAS No: 851218-14-9 Catalog No: AG004O44 MDL No:

Product Description

Catalog Number:
AG004O44
Chemical Name:
Adenosine, 2'-deoxy-N-(hydroxyacetyl)-
CAS Number:
851218-14-9
Molecular Formula:
C12H15N5O5
Molecular Weight:
309.2780
IUPAC Name:
2-hydroxy-N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetamide
InChI:
InChI=1S/C12H15N5O5/c18-2-7-6(20)1-9(22-7)17-5-15-10-11(16-8(21)3-19)13-4-14-12(10)17/h4-7,9,18-20H,1-3H2,(H,13,14,16,21)/t6-,7+,9+/m0/s1
InChI Key:
LCRGLVZRIMYOPI-LKEWCRSYSA-N
SMILES:
OCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H](C1)O)CO

Properties

Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
309.107g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
309.282g/mol
Monoisotopic Mass:
309.107g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1  

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