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140440-40-0

140440-40-0 | 3-Cyclopentene-1,2-dimethanol, 5-(6-amino-9H-purin-9-yl)-, (1R,2S,5R)-rel-

CAS No: 140440-40-0 Catalog No: AG001CGC MDL No:

Product Description

Catalog Number:
AG001CGC
Chemical Name:
3-Cyclopentene-1,2-dimethanol, 5-(6-amino-9H-purin-9-yl)-, (1R,2S,5R)-rel-
CAS Number:
140440-40-0
Molecular Formula:
C12H15N5O2
Molecular Weight:
261.2798
IUPAC Name:
[(1R,4S,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
InChI:
InChI=1S/C12H15N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)9-2-1-7(3-18)8(9)4-19/h1-2,5-9,18-19H,3-4H2,(H2,13,14,15)/t7-,8+,9-/m0/s1
InChI Key:
ZGCLIXGLQFSZRB-YIZRAAEISA-N
SMILES:
OC[C@@H]1[C@@H](CO)C=C[C@H]1n1cnc2c1ncnc2N

Properties

Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
261.123g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
261.285g/mol
Monoisotopic Mass:
261.123g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

Literature

Title Journal
Synthesis and anti-HIV activity of 9-[c-4,t-5-bis(hydroxymethyl)cyclopent-2-en-r-1-yl]-9H-adenine. Journal of medicinal chemistry 19920515

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