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118237-87-9 | 2-Cyclopentene-1-methanol, 4-(2-amino-6-chloro-9H-purin-9-yl)-, (1R,4S)-rel-
CAS No: 118237-87-9 Catalog No: AG000MKE MDL No:
Product Description
Catalog Number:
AG000MKE
Chemical Name:
2-Cyclopentene-1-methanol, 4-(2-amino-6-chloro-9H-purin-9-yl)-, (1R,4S)-rel-
CAS Number:
118237-87-9
Molecular Formula:
C11H12ClN5O
Molecular Weight:
265.6989
IUPAC Name:
[(1R,4S)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methanol
InChI:
InChI=1S/C11H12ClN5O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h1-2,5-7,18H,3-4H2,(H2,13,15,16)/t6-,7+/m0/s1
InChI Key:
IHEDZPMXLKYPSA-NKWVEPMBSA-N
SMILES:
OC[C@H]1C=C[C@H](C1)n1cnc2c1nc(N)nc2Cl
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
265.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.701g/mol
Monoisotopic Mass:
265.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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