Basic information
- CAS
33823-00-6- Standard SMILES
C=CCSc1ncnc2c(C3OC(CO)C(O)C3O)[nH]nc12- InChIKey
AVANJXLHYHZOTG-UHFFFAOYSA-N- Molecular formula
- C13H16N4O4S
- Average molar mass
- 324.36 g/mol
- Monoisotopic mass
- 324.08922618
Names & identifiers
- Preferred name
- 1,4-Anhydro-1-[7-(prop-2-en-1-ylsulfanyl)-2h-pyrazolo[4,3-d]pyrimidin-3-yl]pentitol
- IUPAC
- 2-(hydroxymethyl)-5-(7-prop-2-enylsulfanyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol
Names & synonyms
33823-00-61,4-anhydro-1-[7-(prop-2-en-1-ylsulfanyl)-2h-pyrazolo[4,3-d]pyrimidin-3-yl]pentitolNSC131928DTXSID70299666NSC-1319281,4-Anhydro-1-{7-[(prop-2-en-1-yl)sulfanyl]-2H-pyrazolo[4,3-d]pyrimidin-3-yl}pentitol
Database identifiers
- CAS
33823-00-6- PubChem CID
- 280339
- DTXSID
DTXSID70299666
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…