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2-[2-Amino-6-(2,2-diphenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

HCID 13686252
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1
InChIKey
DWLRQCKPLTUZSI-UHFFFAOYSA-N
Molecular formula
C24H26N6O4
Average molar mass
462.5 g/mol

Names & identifiers

Preferred name
2-[2-Amino-6-(2,2-diphenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC
2-[2-amino-6-(2,2-diphenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Database identifiers

PubChem CID
13686252

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
152 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
34
Formal charge
0
Complexity
631

Related reactions

1 records
New reaction record
HRID 669774 reaction equation
HRID 669774As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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