N(6),O(2)-Dipivaloyl cyclic amp
Basic information
- CAS
78232-35-6- Standard SMILES
CC(C)(C)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)C(C)(C)C- InChIKey
OFPPCWXYSKTHBG-XNIJJKJLSA-N- Molecular formula
- C20H28N5O8P
- Average molar mass
- 497.4 g/mol
- Monoisotopic mass
- 497.16754987
Names & identifiers
- Preferred name
- N(6),O(2)-Dipivaloyl cyclic amp
- IUPAC
- [(4aR,6R,7R,7aR)-6-[6-(2,2-dimethylpropanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] 2,2-dimethylpropanoate
Names & synonyms
N(6),O(2)-Dipivaloyl cyclic amp78232-35-6Adenosine, N-(2,2-dimethyl-1-oxopropyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-(2,2-dimethylpropanoate)RefChem:160723DTXSID40999580N-(9-{(4aR,6R,7R,7aR)-7-[(2,2-Dimethylpropanoyl)oxy]-2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl}-9H-purin-6-yl)-2,2-dimethylpropanimidic acidN-(9-{7-[(2,2-Dimethylpropanoyl)oxy]-2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl}-9H-purin-6-yl)-2,2-dimethylpropanimidic acid
Database identifiers
- CAS
78232-35-6- PubChem CID
- 192131
- DTXSID
DTXSID40999580
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 861
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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