2',3',5'-tri-O-benzoyl-2-chloroadenosine

HCID 86660909
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Basic information

Standard SMILES
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
InChIKey
GQWMSCQHPPPGCB-VBHAUSMQSA-N
Molecular formula
C31H24ClN5O7
Average molar mass
614 g/mol

Names & identifiers

Preferred name
2',3',5'-tri-O-benzoyl-2-chloroadenosine
IUPAC
[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate

Names & synonyms

SCHEMBL1389513GQWMSCQHPPPGCB-VBHAUSMQSA-N2',3',5'-tri-O-benzoyl-2-chloroadenosine

Database identifiers

PubChem CID
86660909

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
158 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
11
Heavy atoms
44

Related reactions

1 records
New reaction record

Compound notes

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