9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine
Basic information
- CAS
13276-61-4- Standard SMILES
CC(=O)OCC1OC(n2cnc3c(N)ncnc32)C(OC(C)=O)C1SCc1ccccc1- InChIKey
NDALZDDOXXWUGQ-UHFFFAOYSA-N- Molecular formula
- C21H23N5O5S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.14199002
Names & identifiers
- Preferred name
- 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine
- IUPAC
- [4-acetyloxy-5-(6-aminopurin-9-yl)-3-benzylsulfanyloxolan-2-yl]methyl acetate
Names & synonyms
NSC876789-(2,5-di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amineDTXSID20927806NSC-87678
Database identifiers
- CAS
13276-61-4- PubChem CID
- 258587
- DTXSID
DTXSID20927806
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 666
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Compound notes
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