Basic information
- CAS
6966-88-7- Standard SMILES
CCSC(C(O)C(O)C(O)C(O)CO)n1cnc2c(N)ncnc21- InChIKey
POHUCFSWYVMLKP-UHFFFAOYSA-N- Molecular formula
- C13H21N5O5S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.12633996
Names & identifiers
- Preferred name
- 1-c-(6-Amino-9h-purin-9-yl)-1-s-ethyl-1-thiohexitol
- IUPAC
- 6-(6-aminopurin-9-yl)-6-ethylsulfanylhexane-1,2,3,4,5-pentol
Names & synonyms
1-c-(6-amino-9h-purin-9-yl)-1-s-ethyl-1-thiohexitol6966-88-7NSC68228DTXSID30989798NSC-68228NSC409731NSC-409731
Database identifiers
- CAS
6966-88-7- PubChem CID
- 249658
- DTXSID
DTXSID30989798
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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