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90899-89-1

90899-89-1 | 6-Mercapto-9-(b-D-arabinofuranosyl)purine

CAS No: 90899-89-1 Catalog No: AG006GOW MDL No:

Product Description

Catalog Number:
AG006GOW
Chemical Name:
6-Mercapto-9-(b-D-arabinofuranosyl)purine
CAS Number:
90899-89-1
Molecular Formula:
C10H12N4O4S
Molecular Weight:
284.2917
IUPAC Name:
9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
InChI:
InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7+,10-/m1/s1
InChI Key:
NKGPJODWTZCHGF-UHTZMRCNSA-N
SMILES:
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1[nH]cnc2=S
EC Number:
212-968-3
UNII:
O532QJ0GH4

Properties

Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
284.058g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
284.29g/mol
Monoisotopic Mass:
284.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

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