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23520-99-2

23520-99-2 | 9H-Purine, 6,6'-dithiobis[9-(2-deoxy-β-D-erythro-pentofuranosyl)- (8CI,9CI)

CAS No: 23520-99-2 Catalog No: AG002NKG MDL No:

Product Description

Catalog Number:
AG002NKG
Chemical Name:
9H-Purine, 6,6'-dithiobis[9-(2-deoxy-β-D-erythro-pentofuranosyl)- (8CI,9CI)
CAS Number:
23520-99-2
Molecular Formula:
C20H22N8O6S2
Molecular Weight:
534.5687
IUPAC Name:
5-[6-[[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C20H22N8O6S2/c29-3-11-9(31)1-13(33-11)27-7-25-15-17(27)21-5-23-19(15)35-36-20-16-18(22-6-24-20)28(8-26-16)14-2-10(32)12(4-30)34-14/h5-14,29-32H,1-4H2
InChI Key:
NXMAXYGCTAAAKY-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2SSc1ncnc2c1ncn2[C@H]1C[C@@H]([C@H](O1)CO)O

Properties

Complexity:
707  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.11g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
534.566g/mol
Monoisotopic Mass:
534.11g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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