3',5'-cyclic AMP(1-)
PubChem CID: 7059571
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| Compound Synonyms | 3',5'-cyclic AMP(1-), cyclic-AMP, (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol, MLS001333136, adenosine-3',5'-monophosphate, adenosine cyclic-3',5'-monophosphate, adenosine-3',5'-cyclic monophosphate, cyclic-3',5'-adenosine monophosphate, 3',5'-Monophosphate, Adenosine Cyclic, SMR000875274, 3clp, 3ocp, 3otf, Adenosine 3',5'-cyclic monophosphate sodium salt monohydrate, 2k0g, 3',5'-cyclic AMP anion, BDBM81289, CHEBI:58165, 3u10, cid_23669773, DTXSID501214160, NCGC00485221-01, 62906-31-4, adenosine 3',5'-cyclic monophosphate anion, adenosine 3',5'-cyclic monophosphate(1-), Q27125416, Adenosine, cyclic 3a(2),5a(2)-(hydrogen phosphate), ion(1-), (1S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3?5-phosphabicyclo[4.3.0]nonan-9-ol, sodium, (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxidanidyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol, sodium, (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol, sodium, (4aR,6R,7R,7aS)-6-adenin-9-yl-2-keto-2-oxido-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol |
|---|---|
| Topological Polar Surface Area | 158.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
| Prediction Hob | 0.0 |
| Xlogp | -2.6 |
| Molecular Formula | C10H11N5O6P- |
| Prediction Swissadme | 0.0 |
| Inchi Key | IVOMOUWHDPKRLL-KQYNXXCUSA-M |
| Fcsp3 | 0.5 |
| Logs | -1.634 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.106 |
| Compound Name | 3',5'-cyclic AMP(1-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.045 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 328.045 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 328.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2467734727272733 |
| Inchi | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1 |
| Smiles | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)[O-] |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients