Structure Database (LMSD)
Common Name
1-O-alpha-D-glucopyranosyl-1,2-nonadecandiol
Systematic Name
1-O-α-D-glucopyranosyl-1,2-nonadecandiol
Synonyms
3D model of 1-O-alpha-D-glucopyranosyl-1,2-nonadecandiol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JTORERGMBRHZTA-SFINKYQGSA-N
InChi (Click to copy)
InChI=1S/C25H50O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(27)19-31-25-24(30)23(29)22(28)21(18-26)32-25/h20-30H,2-19H2,1H3/t20?,21-,22-,23+,24-,25+/m1/s1
SMILES (Click to copy)
OC(CCCCCCCCCCCCCCCCC)CO[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
References
Comments
Submitted by Henry Boumann, Netherlands
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Roseiflexus castenholzii
(#120962)
Chloroflexia
(#32061)
Alkane-1,2-diol-based glycosides and fatty glycosides and wax esters in Roseiflexus castenholzii and hot spring microbial mats.,
Arch Microbiol, 2002
Arch Microbiol, 2002
Pubmed ID:
12189424
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
1
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
490.23
Topological Polar Surface Area
121.68
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
logP
5.71
Molar Refractivity
129.32
Admin
Created at
-
Updated at
31st Aug 2021