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(2R)-3-(Hexadecyloxy)-1,2-propanediol

PubChem CID: 11758911

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Compound Synonyms 3-o-hexadecyl-sn-glycerol, 10550-58-0, (R)-3-(Hexadecyloxy)propane-1,2-diol, (2R)-3-hexadecoxypropane-1,2-diol, (2R)-3-(Hexadecyloxy)-1,2-propanediol, C19H40O3, (R)-3-(hexadecyloxy)-1,2-propanediol, 3-hexadecyl-sn-glycerol, 1,2-Propanediol, 3-(hexadecyloxy)-, (2R)-, SCHEMBL1086330, DTXSID101286642, CCG-35274, HY-W127328, (R)-3-[hexadecyloxy)-1.2-propanediol, FH111141, 1,2-Propanediol,3-(hexadecyloxy)-,(2R)-, CS-0185569, NS00085563
Topological Polar Surface Area 49.7
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 197.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2R)-3-hexadecoxypropane-1,2-diol
Prediction Hob 0.0
Xlogp 6.5
Molecular Formula C19H40O3
Prediction Swissadme 0.0
Inchi Key OOWQBDFWEXAXPB-LJQANCHMSA-N
Fcsp3 1.0
Logs -5.851
Rotatable Bond Count 18.0
Logd 3.872
Compound Name (2R)-3-(Hexadecyloxy)-1,2-propanediol
Prediction Hob Swissadme 0.0
Exact Mass 316.298
Formal Charge 0.0
Monoisotopic Mass 316.298
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 316.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -4.7283612
Inchi InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3/t19-/m1/s1
Smiles CCCCCCCCCCCCCCCCOC[C@@H](CO)O
Nring 0.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Astragalus Sevangensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Elsholtzia Blanda (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Eupatorium Sternbergianum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Polanisia Dodecandra (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Prunus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients
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