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125073-26-9 | 6H-Purin-6-one, 2-amino-9-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-, rel-
CAS No: 125073-26-9 Catalog No: AG000N2W MDL No:
Product Description
Catalog Number:
AG000N2W
Chemical Name:
6H-Purin-6-one, 2-amino-9-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-, rel-
CAS Number:
125073-26-9
Molecular Formula:
C11H15N5O4
Molecular Weight:
281.2679
IUPAC Name:
2-amino-9-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
InChI:
InChI=1S/C11H15N5O4/c12-11-14-9-6(10(20)15-11)13-3-16(9)5-1-4(2-17)7(18)8(5)19/h3-5,7-8,17-19H,1-2H2,(H3,12,14,15,20)
InChI Key:
KIDOTSCXAILVGR-UHFFFAOYSA-N
SMILES:
OC[C@H]1C[C@H]([C@H]([C@H]1O)O)n1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
281.272g/mol
Monoisotopic Mass:
281.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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