Basic information
- CAS
61866-10-2- Standard SMILES
Nc1ncnc2c1nc(CS)n2C1OC2COP(=O)(O)OC2C1O- InChIKey
GPUNSPOSQRRPTH-UHFFFAOYSA-N- Molecular formula
- C11H14N5O6PS
- Average molar mass
- 375.3 g/mol
- Monoisotopic mass
- 375.04024135
Names & identifiers
- Preferred name
- 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
- IUPAC
- 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Names & synonyms
61866-10-26-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-olDTXSID202743428-Thiomethyladenosine 3 inverted exclamation marka:5 inverted exclamation marka-cyclic monophosphate6-[6-Amino-8-(sulfanylmethyl)-9H-purin-9-yl]-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
Database identifiers
- CAS
61866-10-2- PubChem CID
- 1924
- DTXSID
DTXSID20274342
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…