8-Thio-benzyl cyclic amp
Basic information
- CAS
32487-38-0- Standard SMILES
Nc1ncnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O- InChIKey
XOQMHXSVDYQBOZ-XNIJJKJLSA-N- Molecular formula
- C17H18N5O6PS
- Average molar mass
- 451.4 g/mol
- Monoisotopic mass
- 451.07154148
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 8-Thio-benzyl cyclic amp
- IUPAC
- (4aR,6R,7R,7aS)-6-(6-amino-8-benzylsulfanylpurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
- English name
- 8-Benzylthio-camp
- Molecular formula
- C17H18N5O6PS
- Molecular weight
- 451.39
Names & synonyms
8-S-Benzyl cyclic amp8-Benzylthio-camp32487-38-08-Thio-benzyl cyclic amp8-((Phenylmethyl)thio)adenosine, cyclic 3',5'-(hydrogen phosphate)RefChem:107359(4aR,6R,7R,7aS)-6-(6-amino-8-benzylsulfanylpurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-olCHEMBL3142470DTXSID70954228(4aR,6R,7R,7aS)-6-[6-Amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one6-[6-Amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one8-Benzylthioadenosine 3',5'-phosphoric acid
Show more names
8-(Phenylmethylthio)adenosine 3',5'-phosphoric acidAdenosine, 8-[(phenylmethyl)thio]-, cyclic 3',5'-(hydrogen phosphate) (9CI)
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 675
Experimental & physicochemical properties
LogP-1.15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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