(-)-Adenosine 3',5'-cyclic monophosphate
PubChem CID: 6714006
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| Compound Synonyms | Prestwick0_001092, Prestwick1_001092, Prestwick2_001092, SPBio_003052, SCHEMBL14575138, HMS1571K06, AKOS015964989, AC-32140, (-)-Adenosine 3',5'-cyclic monophosphate |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4aR,6R,7aR)-6-(6-aminopurin-9-yl)-2-hydroxy-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 | C10H12N5O6P |
| Prediction Swissadme | 0.0 |
| Inchi Key | IVOMOUWHDPKRLL-HMEJCUHCSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.651 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.957 |
| Compound Name | (-)-Adenosine 3',5'-cyclic monophosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 329.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 329.053 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 329.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.25302307272727315 |
| 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)/t4-,6?,7+,10-/m1/s1 |
| Smiles | C1[C@@H]2[C@@H](C([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