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131043-40-8 | 6H-Purin-6-one, 2-amino-9-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentyl]-1,9-dihydro-, [1S-(1α,2α,3α,4β)]- (9CI)
CAS No: 131043-40-8 Catalog No: AG000VG6 MDL No:
Product Description
Catalog Number:
AG000VG6
Chemical Name:
6H-Purin-6-one, 2-amino-9-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentyl]-1,9-dihydro-, [1S-(1α,2α,3α,4β)]- (9CI)
CAS Number:
131043-40-8
Molecular Formula:
C11H14FN5O3
Molecular Weight:
283.2590
IUPAC Name:
2-amino-9-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
InChI:
InChI=1S/C11H14FN5O3/c12-7-4(2-18)6(19)1-5(7)17-3-14-8-9(17)15-11(13)16-10(8)20/h3-7,18-19H,1-2H2,(H3,13,15,16,20)
InChI Key:
HZYCFCXWLCRNAY-UHFFFAOYSA-N
SMILES:
OCC1C(O)CC(C1F)n1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
283.263g/mol
Monoisotopic Mass:
283.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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