9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine
Basic information
- CAS
13276-56-7- Standard SMILES
Nc1ncnc2c1ncn2C1OC(CO)C(SCc2ccccc2)C1O- InChIKey
LAYLBSISAUBFDP-UHFFFAOYSA-N- Molecular formula
- C17H19N5O3S
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.12086066
Names & identifiers
- Preferred name
- 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine
- IUPAC
- 2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-ol
Names & synonyms
13276-56-79-(3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amineNSC87677DTXSID00927804NSC-87677
Database identifiers
- CAS
13276-56-7- PubChem CID
- 258586
- DTXSID
DTXSID00927804
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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