13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one
Basic information
- CAS
74754-49-7- Standard SMILES
CSc1nc(=O)[nH]c2c1c1c(N)ncnc1n2C1OC(CO)C(O)C1O- InChIKey
PSXRCOBDFZNYMG-UHFFFAOYSA-N- Molecular formula
- C14H16N6O5S
- Average molar mass
- 380.38 g/mol
- Monoisotopic mass
- 380.09028881
Names & identifiers
- Preferred name
- 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one
- IUPAC
- 13-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one
Names & synonyms
NSC30550274754-49-7DTXSID70316660NSC-3055025-Amino-4-(methylsulfanyl)-9-pentofuranosyl-1,9-dihydro-2H-pyrrolo[2,3-d:5,4-d']dipyrimidin-2-one
Database identifiers
- CAS
74754-49-7- PubChem CID
- 328067
- DTXSID
DTXSID70316660
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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