SureCN1443089
PubChem CID: 5315717
Connections displayed (default: 10).
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| Compound Synonyms | C10135, SureCN1443089, AC1L9D45 |
|---|---|
| Topological Polar Surface Area | 76.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 561.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (13S,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione |
| Prediction Hob | 0.0 |
| Xlogp | 6.3 |
| Molecular Formula | C28H50N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMSCMASJCYVAIF-OXMFEONNSA-N |
| Fcsp3 | 0.9285714285714286 |
| Logs | -6.048 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.064 |
| Compound Name | SureCN1443089 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 478.377 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.377 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 478.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.770751600000002 |
| Inchi | InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23?,24?,25?,26?/m0/s1 |
| Smiles | C[C@H]1C2CCC(N1)CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)O2)N[C@H]3C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Strychnos Nux-Vomica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:cmaup_ingredients