Structure Database (LMSD)
Common Name
bhas#28
Systematic Name
3R-hydroxy-15R-(3,6-dideoxy-α-L-arabino-hexopyranosyloxy)-hexadecanoic acid
Synonyms
- 3R-hydroxy-15R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-hexadecanoic acid
3D model of bhas#28
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
QQIOQZRDFXAPQI-IGKFWFGWSA-N
InChi (Click to copy)
InChI=1S/C22H42O7/c1-16(28-22-20(25)15-19(24)17(2)29-22)12-10-8-6-4-3-5-7-9-11-13-18(23)14-21(26)27/h16-20,22-25H,3-15H2,1-2H3,(H,26,27)/t16-,17+,18-,19-,20-,22-/m1/s1
SMILES (Click to copy)
O([C@@H](CCCCCCCCCCC[C@@H](O)CC(=O)O)C)[C@H]1[C@H](O)C[C@@H](O)[C@H](C)O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
1
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
435.69
Topological Polar Surface Area
118.52
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
logP
5.09
Molar Refractivity
113.63
Admin
Created at
12th Jun 2020
Updated at
12th Jun 2020