5-[2-amino-6-(benzyloxy)-9H-purin-9-yl]-3-[dimethyl(phenyl)silyl]-1,2-bis(hydroxymethyl)cyclopentan-1-ol
Basic information
- CAS
701278-05-9- Standard SMILES
C[Si](C)(c1ccccc1)C1CC(n2cnc3c(OCc4ccccc4)nc(N)nc32)C(O)(CO)C1CO- InChIKey
FWQXSAYLZCXRAT-UHFFFAOYSA-N- Molecular formula
- C27H33N5O4Si
- Average molar mass
- 519.7 g/mol
- Monoisotopic mass
- 519.23018109
Names & identifiers
- Preferred name
- 5-[2-amino-6-(benzyloxy)-9H-purin-9-yl]-3-[dimethyl(phenyl)silyl]-1,2-bis(hydroxymethyl)cyclopentan-1-ol
- IUPAC
- 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[dimethyl(phenyl)silyl]-1,2-bis(hydroxymethyl)cyclopentan-1-ol
- English name
- [(1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-[dimethyl(phenyl)silyl]-1-hydroxycyclopentane-1,2-diyl]dimethanol
- Molecular formula
- C27H33N5O4Si
- Molecular weight
- 519.67
Names & synonyms
701278-05-9DTXSID206940865-(2-amino-6-phenylmethoxypurin-9-yl)-3-[dimethyl(phenyl)silyl]-1,2-bis(hydroxymethyl)cyclopentan-1-ol5-[2-amino-6-(benzyloxy)-9H-purin-9-yl]-3-[dimethyl(phenyl)silyl]-1,2-bis(hydroxymethyl)cyclopentan-1-ol5-(2-amino-6-phenylmethoxy-9-purinyl)-3-[dimethyl(phenyl)silyl]-1,2-bis(hydroxymethyl)-1-cyclopentanol[1s-(1,2,3,4)]-1-[2-amino-6-(phenylmethoxy)-9h-purin-9-yl]-4-(dimethylphenylsilyl)-2-hydroxy-2,3-cyclopentanedimethanol((1S,2S,3S,5S)-5-(2-Amino-6-(Benzyloxy)-9H-Purin-9-Yl)-3-(Dimethyl(Phenyl)Silyl)-1-Hydroxycyclopentane-1,2-Diyl)Dimethanol1,2-Cyclopentanedimethanol, 5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(dimethylphenylsilyl)-1-hydroxy-, (1S,2S,3S,5S)-[(1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-[dimethyl(phenyl)silyl]-1-hydroxycyclopentane-1,2-diyl]dimethanol
Database identifiers
- CAS
701278-05-9- PubChem CID
- 53395201
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 752
Physicochemical properties
- Boiling point
- 771.4 · 771.4±70.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 13.75 · 13.75±0.70(Predicted)
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Compound notes
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