Basic information
- CAS
57344-98-6- Standard SMILES
Nc1ncnc2c1ccn2C1OC(CSCCC(N)C(=O)O)C(O)C1O- InChIKey
VIRPSVXGKGPXDV-UHFFFAOYSA-N- Molecular formula
- C15H21N5O5S
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.12633996
Names & identifiers
- Preferred name
- 2-Amino-4-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
- IUPAC
- 2-amino-4-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Names & synonyms
SCHEMBL14174634NSC278878NSC-278878
Database identifiers
- CAS
57344-98-6- PubChem CID
- 322263
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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