[9-[3,4-Dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl methanesulfonate

HCID 18348410

Basic information

Standard SMILES
COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(COS(C)(=O)=O)nc32)C(O)C1O
InChIKey
RXWWNFDQIJDFIS-UHFFFAOYSA-N
Molecular formula
C27H31N5O7S
Average molar mass
569.6 g/mol
Monoisotopic mass
569.19441952

Names & identifiers

Preferred name
[9-[3,4-Dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl methanesulfonate
IUPAC
[9-[3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl methanesulfonate

Database identifiers

PubChem CID
18348410

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
166 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
11
Rotatable bonds
11
Heavy atoms
40

Related reactions

7 records

Linked notes

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