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cis-4-(6-Amino-9H-purin-9-yl)-D-prolinol

HCID 453479
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Basic information

CAS
135042-28-3
Standard SMILES
Nc1ncnc2c1ncn2[C@H]1CN[C@@H](CO)C1
InChIKey
LIMGOFPYHUEMJW-RNFRBKRXSA-N
Molecular formula
C10H14N6O
Average molar mass
234.26 g/mol
Monoisotopic mass
234.12290909

Names & identifiers

Preferred name
cis-4-(6-Amino-9H-purin-9-yl)-D-prolinol
IUPAC
[(2R,4R)-4-(6-aminopurin-9-yl)pyrrolidin-2-yl]methanol

Names & synonyms

cis-4-(6-Amino-9H-purin-9-yl)-D-prolinol135042-28-3CHEMBL2112109(Cis-4-(6-amino-9H-purin-9-yl)pyrrolidin-2-yl)methanol[(2R,4R)-4-(6-aminopurin-9-yl)pyrrolidin-2-yl]methanolDTXSID80159222[(2R,4R)-4-(6-amino-9H-purin-9-yl)pyrrolidin-2-yl]methanolBDBM50229540

Database identifiers

CAS
135042-28-3
PubChem CID
453479
DTXSID
DTXSID80159222
ChEMBL
CHEMBL2112109
Nikkaji
J424.876G

Properties

Computed structural properties

XLogP
-1
Topological polar surface area
102 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
278

Related reactions

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Compound notes

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