(2R,4R)-16-Heptadecyne-1,2,4-triol
PubChem CID: 14630627
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| Compound Synonyms | (2R,4R)-16-Heptadecyne-1,2,4-triol, 129099-93-0, SCHEMBL18730915, DTXSID401298181 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,4R)-heptadec-16-yne-1,2,4-triol |
| Prediction Hob | 0.0 |
| Xlogp | 4.3 |
| Molecular Formula | C17H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OHLQBKZXSJYBMK-IAGOWNOFSA-N |
| Fcsp3 | 0.8823529411764706 |
| Logs | -4.089 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.049 |
| Compound Name | (2R,4R)-16-Heptadecyne-1,2,4-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 284.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.382227999999999 |
| Inchi | InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h1,16-20H,3-15H2/t16-,17-/m1/s1 |
| Smiles | C#CCCCCCCCCCCC[C@H](C[C@H](CO)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Ruspoliana (Plant) Rel Props:Source_db:cmaup_ingredients