(7R,11R)-3,7,11,15-tetramethylhexadecanoic acid
PubChem CID: 468706
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| Compound Synonyms | (7R,11R)-3,7,11,15-tetramethylhexadecanoic acid, 199484-69-0, 3,7R,11R,15-tetramethyl-hexadecanoic acid, Hexadecanoic acid, 3,7,11,15-tetramethyl-, (7R,11R)-, DTXSID50332848, SCHEMBL9452184, CHEMBL1215869, DTXCID90283941, CHEBI:179704, (3R,S,7R,11R)-Phytanic acid, LMPR0104010004, 3,7R,11R,15-Tetramethyl-hexadecanoate, (7r,11r)-3,7,11,15-tetramethyl-hexadecanoic acid |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 273.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P19793 |
| Iupac Name | (7R,11R)-3,7,11,15-tetramethylhexadecanoic acid |
| Prediction Hob | 0.0 |
| Target Id | NPT546 |
| Xlogp | 8.3 |
| Molecular Formula | C20H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RLCKHJSFHOZMDR-PWCSWUJKSA-N |
| Fcsp3 | 0.95 |
| Logs | -6.475 |
| Rotatable Bond Count | 14.0 |
| Logd | 6.148 |
| Compound Name | (7R,11R)-3,7,11,15-tetramethylhexadecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 312.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0890356 |
| Inchi | InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19?/m1/s1 |
| Smiles | C[C@@H](CCC[C@@H](C)CCCC(C)CC(=O)O)CCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all