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835900-50-0 | Adenosine, 8-chloro-N-cyclopropyl-
CAS No: 835900-50-0 Catalog No: AG0057ES MDL No:
Product Description
Catalog Number:
AG0057ES
Chemical Name:
Adenosine, 8-chloro-N-cyclopropyl-
CAS Number:
835900-50-0
Molecular Formula:
C13H16ClN5O4
Molecular Weight:
341.7502
IUPAC Name:
(2R,3R,4S,5R)-2-[8-chloro-6-(cyclopropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C13H16ClN5O4/c14-13-18-7-10(17-5-1-2-5)15-4-16-11(7)19(13)12-9(22)8(21)6(3-20)23-12/h4-6,8-9,12,20-22H,1-3H2,(H,15,16,17)/t6-,8-,9-,12-/m1/s1
InChI Key:
JIDQNVMQGVLRNL-WOUKDFQISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(Cl)nc2c1ncnc2NC1CC1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
341.089g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
341.752g/mol
Monoisotopic Mass:
341.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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