Stearyl Stearate
PubChem CID: 17720
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| Compound Synonyms | STEARYL STEARATE, 2778-96-3, Octadecyl Octadecanoate, Octadecyl stearate, Octadecanoic acid, octadecyl ester, Stearic acid stearyl ester, Stearic acid, stearyl ester, octadecanyl octadecanoate, UNII-5WX2EGD0DK, Cyclochem SS, 5WX2EGD0DK, Liponate SS, Ritachol SS, Lexol SS, Stearic acid, octadecyl ester, Hetester 412, Emalex CC-18, Loxiol G 30, Octadecanoyic acid, octadecyl ester, 1-Octadecyl octadecanoate, EINECS 220-476-5, MFCD00056225, DTXSID5062639, WE(18:0/18:0), FE 78-18, Stearyl stearate, ~99%, Stearic acid octadecyl ester, SCHEMBL42773, STEARYL STEARATE [INCI], DTXCID5037733, Octadecanoic acid octadecyl ester, LMFA07010054, Stearyl stearate, analytical standard, Stearyl stearate, >=98.0% (GC), AKOS024438267, HY-W127437, BS-49287, FS179431, DB-047278, CS-0185669, NS00014133, E79230, Q27262974 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 38.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadecyl octadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 17.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C36H72O2 |
| Inchi Key | NKBWPOSQERPBFI-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 34.0 |
| Synonyms | stearyl stearate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Stearyl Stearate |
| Exact Mass | 536.553 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 536.553 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 537.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Mammea Suriga (Plant) Rel Props:Reference:ISBN:9788172363178