9-((1R,4S)-4-Ethoxycarbonyloxy-cyclopent-2-enyl)-6-((S)-1-hydroxymethyl-2-phenyl-ethylamino)-9H-purine-2-carboxylic acid methyl ester

HCID 67022992
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Basic information

Standard SMILES
CCOC(=O)O[C@@H]1C=C[C@H](n2cnc3c(N[C@H](CO)Cc4ccccc4)nc(C(=O)OC)nc32)C1
InChIKey
ODFUIAXAYRYDCR-OKZBNKHCSA-N
Molecular formula
C24H27N5O6
Average molar mass
481.5 g/mol

Names & identifiers

Preferred name
9-((1R,4S)-4-Ethoxycarbonyloxy-cyclopent-2-enyl)-6-((S)-1-hydroxymethyl-2-phenyl-ethylamino)-9H-purine-2-carboxylic acid methyl ester
IUPAC
methyl 9-[(1R,4S)-4-ethoxycarbonyloxycyclopent-2-en-1-yl]-6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]purine-2-carboxylate

Names & synonyms

SCHEMBL1412372ODFUIAXAYRYDCR-OKZBNKHCSA-N9-((1R,4S)-4-Ethoxycarbonyloxy-cyclopent-2-enyl)-6-((S)-1-hydroxymethyl-2-phenyl-ethylamino)-9H-purine-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
67022992

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
138 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
12
Heavy atoms
35

Related reactions

2 records
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Compound notes

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