Structure Database (LMSD)
Common Name
Dihydroxyneurosporene
Systematic Name
1,2,7,8,1',2'-Hexahydro-psi,psi-carotene-1,1'-diol
Synonyms
- OH-Chloroxanthin
3D model of Dihydroxyneurosporene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
YBUVIHJIZVAODP-ZDVIUYNHSA-N
InChi (Click to copy)
InChI=1S/C40H62O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-15,19-25,27-28,41-42H,16-18,26,29-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
SMILES (Click to copy)
CC(C)(O)CCC/C(/C)=C/CC/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
691.74
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
12.12
Molar Refractivity
189.66
Admin
Created at
-
Updated at
7th Feb 2024