Carbocyclic-2',3'-OH-4'-Cl ara-adenosine

HCID 451908

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Basic information

CAS: 118333-14-5
Standard SMILES: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CCl)[C@@H](O)[C@@H]1O
InChIKey: JZYJVPNLJIRPGP-SQEXRHODSA-N
Molecular formula: C11H14ClN5O2
Average molar mass: 283.71 g/mol
Monoisotopic mass: 283.0836024

Names & identifiers

Preferred name: Carbocyclic-2',3'-OH-4'-Cl ara-adenosine
IUPAC: (1R,2R,3R,5S)-3-(6-aminopurin-9-yl)-5-(chloromethyl)cyclopentane-1,2-diol

Names & synonyms

Carbocyclic-2',3'-OH-4'-Cl ara-adenosineC-2',3'-OH-4'-Cl ara-A118333-14-5NSC 613822NSC6138221,2-Cyclopentanediol, 3-(6-amino-9H-purin-9-yl)-5-(chloromethyl)-, (1alpha,2beta,3beta,5beta)-DTXSID00152098(1R,2R,3R,5S)-3-(6-aminopurin-9-yl)-5-(chloromethyl)cyclopentane-1,2-diol(1R,2R,3R,5S)-3-(6-Amino-9H-purin-9-yl)-5-(chloromethyl)cyclopentane-1,2-diol1,2-Cyclopentanediol, 3-(6-amino-9H-purin-9-yl)-5-(chloromethyl)-, (1a,2b,3b,5b)-

Database identifiers

CAS: 118333-14-5
PubChem CID: 451908
DTXSID: DTXSID00152098

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 110 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 336

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