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[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methanol hydrochloride

[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methanol hydrochloride

CAS: 172015-79-1

Formula: C11H13Cl2N5O

SMILES: Cl[H].NC1=NC(Cl)=C2N=CN([C@@H]3C[C@H](CO)C=C3)C2=N1

IUPAC: [(1S,4R)-4-(2-amino-6-chloro-9H-purin-9-yl)cyclopent-2-en-1-yl]methanol hydrochloride

InChI: InChI=1S/C11H12ClN5O.ClH/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);1H/t6-,7+;/m1./s1

Composition: C (43.73%), H (4.34%), Cl (23.46%), N (23.18%), O (5.29%)

Molar Mass: 302.16

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 301.0497155
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey VZJFPECAPXUELG-HHQFNNIRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.77
Topological Polar Surface Area 89.85
Polarizability 26.05
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 172015-79-1 $93.50-$324.45$93.50$154.28$324.45
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