(1S,4R)-4-(6-Amino-9H-purin-9-yl)-2-cyclopentene-1-methanol - CAS 147332-45-4

Name: (1S,4R)-4-(6-Amino-9H-purin-9-yl)-2-cyclopentene-1-methanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB061542
Product Name:	(1S,4R)-4-(6-Amino-9H-purin-9-yl)-2-cyclopentene-1-methanol
CAS:	147332-45-4
Synonyms:	((1s,4r)-4-(6-amino-9h-purin-9-yl)cyclopent-2-enyl)methanol; [(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methanol; ((1S,4R)-4-(6-amino-9H-purin-9-yl)cyclopent-2-en-1-yl)methanol; 2-Cyclopentene-1-methanol, 4-(6-amino-9H-purin-9-yl)-, cis-(1)-; 2-Cyclopentene-1-methanol, 4-(6-amino-9H-purin-9-yl)-, (1S,4R)-

Technical Data

IUPAC Name:	[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methanol
Description:	(1S,4R)-4-(6-Amino-9H-purin-9-yl)-2-cyclopentene-1-methanol is a reactant used in the synthesis of antitubercular nucleosides.
Molecular Weight:	231.25
Molecular Formula:	C11H13N5O
Canonical SMILES:	C1C(C=CC1N2C=NC3=C(N=CN=C32)N)CO
InChI:	InChI=1S/C11H13N5O/c12-10-9-11(14-5-13-10)16(6-15-9)8-2-1-7(3-8)4-17/h1-2,5-8,17H,3-4H2,(H2,12,13,14)/t7-,8+/m1/s1
InChI Key:	COZAZKCWQGBJDE-SFYZADRCSA-N
References:	Somu, R. et al. J. Med. Chem., 49, 7623 (2006).

Complexity:	310
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	231.11201006
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	231.11201006
Rotatable Bond Count:	2
Topological Polar Surface Area:	89.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3