CAS 69895-62-1 | 9-(3,5-DIHYDROXYPENT-1-YL)ADENINE | CAS Number 69895-62-1

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69895-62-1 | 9-(3,5-DIHYDROXYPENT-1-YL)ADENINE

CAS No: 69895-62-1 Catalog No: AG005HAS MDL No:

Product Description

Catalog Number:

AG005HAS

Chemical Name:

9-(3,5-DIHYDROXYPENT-1-YL)ADENINE

CAS Number:

69895-62-1

Molecular Formula:

C10H15N5O2

Molecular Weight:

237.2584

IUPAC Name:

5-(6-aminopurin-9-yl)pentane-1,3-diol

InChI:

InChI=1S/C10H15N5O2/c11-9-8-10(13-5-12-9)15(6-14-8)3-1-7(17)2-4-16/h5-7,16-17H,1-4H2,(H2,11,12,13)

InChI Key:

UTJYYNFDADPPHB-UHFFFAOYSA-N

SMILES:

OCCC(CCn1cnc2c1ncnc2N)O

Properties

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.123g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.263g/mol

Monoisotopic Mass:

237.123g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7

Literature

Title	Journal
Synthesis of new (+-)-3,5-dihydroxypentyl nucleoside analogues from 1-amino-5-(benzyloxy)pentan-3-ol and their antiviral evaluation.	Journal of medicinal chemistry 19900901
2'-Fluorinated arabinonucleosides of 5-(2-haloalkyl)uracil: synthesis and antiviral activity.	Journal of medicinal chemistry 19870701