Home Halogens 2,6-Dichloro-9-[2,3-O-(1-Methylethylidene)-Beta-D-ribofuranosyl]-9H-purine

2,6-Dichloro-9-[2,3-O-(1-Methylethylidene)-Beta-D-ribofuranosyl]-9H-purine

CAS No.:
52678-40-7
Catalog Number:
AG00DKE0
Molecular Formula:
C13H14Cl2N4O4
Molecular Weight:
361.1807
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Product Description
Catalog Number:
AG00DKE0
Chemical Name:
2,6-Dichloro-9-[2,3-O-(1-Methylethylidene)-Beta-D-ribofuranosyl]-9H-purine
CAS Number:
52678-40-7
Molecular Formula:
C13H14Cl2N4O4
Molecular Weight:
361.1807
MDL Number:
MFCD28100769
IUPAC Name:
[(3aR,4R,6R,6aR)-4-(2,6-dichloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
InChI:
InChI=1S/C13H14Cl2N4O4/c1-13(2)22-7-5(3-20)21-11(8(7)23-13)19-4-16-6-9(14)17-12(15)18-10(6)19/h4-5,7-8,11,20H,3H2,1-2H3/t5-,7-,8-,11-/m1/s1
InChI Key:
LZDIYWCJZOULCR-IOSLPCCCSA-N
SMILES:
OC[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1cnc2c1nc(Cl)nc2Cl
Properties
Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
360.039g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
361.179g/mol
Monoisotopic Mass:
360.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties