Basic information
- CAS
42021-83-0- Standard SMILES
CSc1ncnc2c1ncn2C1OC(COC(N)=O)C(O)C1O- InChIKey
IUNZYTMTXHALNF-UHFFFAOYSA-N- Molecular formula
- C12H15N5O5S
- Average molar mass
- 341.35 g/mol
- Monoisotopic mass
- 341.07938977
Names & identifiers
- Preferred name
- [3,4-Dihydroxy-5-(6-methylsulfanylpurin-9-yl)oxolan-2-yl]methyl carbamate
- IUPAC
- [3,4-dihydroxy-5-(6-methylsulfanylpurin-9-yl)oxolan-2-yl]methyl carbamate
Names & synonyms
42021-83-0NSC152732DTXSID10962201NSC-1527329-{5-O-[Hydroxy(imino)methyl]pentofuranosyl}-6-(methylsulfanyl)-9H-purine
Database identifiers
- CAS
42021-83-0- PubChem CID
- 290109
- DTXSID
DTXSID10962201
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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