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13276-52-3 | 9H-Purine, 2,6-dichloro-9-β-D-ribofuranosyl-
CAS No: 13276-52-3 Catalog No: AG00114N MDL No:MFCD03411342
Product Description
Catalog Number:
AG00114N
Chemical Name:
9H-Purine, 2,6-dichloro-9-β-D-ribofuranosyl-
CAS Number:
13276-52-3
Molecular Formula:
C10H10Cl2N4O4
Molecular Weight:
321.1168
MDL Number:
MFCD03411342
IUPAC Name:
(2R,3R,4S,5R)-2-(2,6-dichloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C10H10Cl2N4O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2/t3-,5-,6-,9-/m1/s1
InChI Key:
HJXWZGVMHDPCRS-UUOKFMHZSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2Cl
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
320.008g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
321.114g/mol
Monoisotopic Mass:
320.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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