6-chloro-9-(2,3-di-O-acetyl-5-O-methyl-beta-D-ribofuranosyl)-purine

HCID 10949024
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Basic information

Standard SMILES
COC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
GDAHJVWTCPVZCI-SDBHATRESA-N
Molecular formula
C15H17ClN4O6
Average molar mass
384.77 g/mol

Names & identifiers

Preferred name
6-chloro-9-(2,3-di-O-acetyl-5-O-methyl-beta-D-ribofuranosyl)-purine
IUPAC
[(2R,3R,4R,5R)-4-acetyloxy-5-(6-chloropurin-9-yl)-2-(methoxymethyl)oxolan-3-yl] acetate

Names & synonyms

SCHEMBL5357974GDAHJVWTCPVZCI-SDBHATRESA-N6-chloro-9-(2,3-di-O-acetyl-5-O-methyl-beta-D-ribofuranosyl)-purine

Database identifiers

PubChem CID
10949024

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
115 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
26

Related reactions

2 records
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Compound notes

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