1-O-Octadecyl-2-O-benzyl-SN-glycerol - CAS 80707-93-3
Catalog: |
BB058638 |
Product Name: |
1-O-Octadecyl-2-O-benzyl-SN-glycerol |
CAS: |
80707-93-3 |
Synonyms: |
1-Propanol, 3-(octadecyloxy)-2-(phenylmethoxy)-, (S)-; (2S)-3-octadecoxy-2-phenylmethoxypropan-1-ol; 1-o-octadecyl-2-o-benzyl-sn-glycerol; (S)-2-O-benzyl-1-O-octadecylglycerine |
IUPAC Name: | (2S)-3-octadecoxy-2-phenylmethoxypropan-1-ol |
Description: | 1-O-OCTADECYL-2-O-BENZYL-SN-GLYCEROL (cas# 80707-93-3) is a useful research chemical. |
Molecular Weight: | 434.69 |
Molecular Formula: | C28H50O3 |
Canonical SMILES: | CCCCCCCCCCCCCCCCCCOCC(CO)OCC1=CC=CC=C1 |
InChI: | InChI=1S/C28H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-26-28(24-29)31-25-27-21-18-17-19-22-27/h17-19,21-22,28-29H,2-16,20,23-26H2,1H3/t28-/m0/s1 |
InChI Key: | AVIFKOIVNVRTPE-NDEPHWFRSA-N |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 434.37599545 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 434.37599545 |
Rotatable Bond Count: | 23 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 9.6 |
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