Basic information
- CAS
53458-39-2- Standard SMILES
CCCCSCC1OC(n2ccc3c(N)ncnc32)C(O)C1O- InChIKey
VDUUBNFVBZIXEO-UHFFFAOYSA-N- Molecular formula
- C15H22N4O3S
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.14126175
Names & identifiers
- Preferred name
- 2-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol
- IUPAC
- 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol
Names & synonyms
53458-39-2NSC1661502-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diolDTXSID70304527NSC-1661507-(5-S-Butyl-5-thiopentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Database identifiers
- CAS
53458-39-2- PubChem CID
- 296231
- DTXSID
DTXSID70304527
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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