(2R,9S,14Z,20Z)-tricosa-14,20-dien-3,5,10,12,22-pentayne-1,2,9-triol
PubChem CID: 163071479
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 781.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,9S,14Z,20Z)-tricosa-14,20-dien-3,5,10,12,22-pentayne-1,2,9-triol |
| Prediction Hob | 0.0 |
| Xlogp | 3.4 |
| Molecular Formula | C23H24O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YNMSRNKEPGAFHQ-POAPXRFFSA-N |
| Fcsp3 | 0.391304347826087 |
| Logs | -4.549 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.48 |
| Compound Name | (2R,9S,14Z,20Z)-tricosa-14,20-dien-3,5,10,12,22-pentayne-1,2,9-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 348.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.6017404 |
| Inchi | InChI=1S/C23H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22(25)19-16-13-14-17-20-23(26)21-24/h1,3-4,9-10,22-26H,5-8,16,19,21H2/b4-3-,10-9-/t22-,23-/m1/s1 |
| Smiles | C#C/C=C\CCCC/C=C\C#CC#C[C@H](CCC#CC#C[C@H](CO)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients