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1378912-51-6 | 9H-Purin-2-amine, 6-chloro-9-(2-C-2-propen-1-yl-β-D-ribofuranosyl)-
CAS No: 1378912-51-6 Catalog No: AG00141G MDL No:
Product Description
Catalog Number:
AG00141G
Chemical Name:
9H-Purin-2-amine, 6-chloro-9-(2-C-2-propen-1-yl-β-D-ribofuranosyl)-
CAS Number:
1378912-51-6
Molecular Formula:
C13H16ClN5O4
Molecular Weight:
341.7502
IUPAC Name:
(3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-5-(hydroxymethyl)-3-prop-2-enyloxolane-3,4-diol
InChI:
InChI=1S/C13H16ClN5O4/c1-2-3-13(22)8(21)6(4-20)23-11(13)19-5-16-7-9(14)17-12(15)18-10(7)19/h2,5-6,8,11,20-22H,1,3-4H2,(H2,15,17,18)/t6-,8-,11?,13-/m1/s1
InChI Key:
SCDBSUXKSXWETL-USXOJEKESA-N
SMILES:
C=CC[C@@]1(O)[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)nc2Cl)CO
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
140A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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