Basic information
- Standard SMILES
CCOC1CCCN1Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@H](COC)[C@@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
OETHLDHRCKMMNQ-HWFMHHSJSA-N- Molecular formula
- C21H29ClN6O7
- Average molar mass
- 512.9 g/mol
Names & identifiers
- Preferred name
- (S)-2',3'-di-O-acetyl-2-chloro-5'-O-methyl-N-[2-(methylmethoxy)-1-pyrrolidinyl]adenosine
- IUPAC
- [(2R,3R,4R,5S)-4-acetyloxy-5-[2-chloro-6-[(2-ethoxypyrrolidin-1-yl)amino]purin-9-yl]-2-(methoxymethyl)oxolan-3-yl] acetate
Names & synonyms
SCHEMBL8820494OETHLDHRCKMMNQ-HWFMHHSJSA-N(S)-2',3'-di-O-acetyl-2-chloro-5'-O-methyl-N-[2-(methylmethoxy)-1-pyrrolidinyl]adenosine
Database identifiers
- PubChem CID
- 86750102
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 753
Related reactions
1 records
Compound notes
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