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2'-Deoxy-6-O-(2-hydroxy-1-phenylethyl)guanosine

HCID 189491
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Basic information

CAS
117456-68-5
Standard SMILES
Nc1nc(OC(CO)c2ccccc2)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1
InChIKey
YTJHGRBOXPXFQD-JLSHEFACSA-N
Molecular formula
C18H21N5O5
Average molar mass
387.4 g/mol
Monoisotopic mass
387.15426879

Names & identifiers

Preferred name
2'-Deoxy-6-O-(2-hydroxy-1-phenylethyl)guanosine
IUPAC
(2R,3S,5R)-5-[2-amino-6-(2-hydroxy-1-phenylethoxy)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

Names & synonyms

117456-68-52'-Deoxy-6-O-(2-hydroxy-1-phenylethyl)guanosineGuanosine, 2'-deoxy-6-O-(2-hydroxy-1-phenylethyl)-DTXSID509224259-(2-Deoxypentofuranosyl)-6-(2-hydroxy-1-phenylethoxy)-3,9-dihydro-2H-purin-2-imine9-(2-Deoxy-beta-D-erythro-pentofuranosyl)-6-(2-hydroxy-1-phenylethoxy)-3,9-dihydro-2H-purin-2-imine

Database identifiers

CAS
117456-68-5
PubChem CID
189491
DTXSID
DTXSID50922425

Properties

Computed structural properties

XLogP
1
Topological polar surface area
149 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
511

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Compound notes

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