sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos 6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxybutyl)-

6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxybutyl)-

CAS No.:
23169-37-1
Catalog Number:
AG002MFV
Molecular Formula:
C9H13N5O2
Molecular Weight:
223.2318
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002MFV
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxybutyl)-
CAS Number:
23169-37-1
Molecular Formula:
C9H13N5O2
Molecular Weight:
223.2318
IUPAC Name:
2-amino-9-(4-hydroxybutyl)-1H-purin-6-one
InChI:
InChI=1S/C9H13N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h5,15H,1-4H2,(H3,10,12,13,16)
InChI Key:
DVQJDXCYEPGOCF-UHFFFAOYSA-N
SMILES:
OCCCCn1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.107g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
223.236g/mol
Monoisotopic Mass:
223.107g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
Synthesis of 1,4-disubstituted mono and bis-triazolocarbo-acyclonucleoside analogues of 9-(4-hydroxybutyl)guanine by Cu(I)-catalyzed click azide-alkyne cycloaddition. Molecules (Basel, Switzerland) 20111227
Inhibition of herpes simplex virus thymidine kinases by 2-phenylamino-6-oxopurines and related compounds: structure-activity relationships and antiherpetic activity in vivo. Journal of medicinal chemistry 20050602
Synthesis and antiherpetic activity of (+/-)-9-[[(Z)-2-(hydroxymethyl)cyclopropyl]methyl]guanine and related compounds. Journal of medicinal chemistry 19881201
Acyclic guanosine analogs as inhibitors of human cytomegalovirus. Antimicrobial agents and chemotherapy 19870201
Influence of twenty potentially antiviral substances on in vitro multiplication of hepatitis A virus. Antiviral research 19860301
Antiherpes effects and pharmacokinetic properties of 9-(4-hydroxybutyl) guanine and the (R) and (S) enantiomers of 9-(3,4-dihydroxybutyl)guanine. Antimicrobial agents and chemotherapy 19850501
Antiherpetic activity and mechanism of action of 9-(4-hydroxybutyl)guanine. Antiviral research 19830801
Properties