ChemDB: Chemical Search
Download
Chemical ID: 5019405
Chemical ID:
5019405
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc(c(cc1C(=O)OCC)C(=O)OCC)C(=O)OCC
InChi [?]:
InChI=1/C18H22O8/c1-5-23-15(19)11-9-13(17(21)25-7-3)14(18(22)26-8-4)10-12(11)16(20)24-6-2/h9-10H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,26,21,2,15,25,20,7,10,6,11,8,9,4,12,22,17,5,13,23,18,3,14,24,19/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)(15,16,17,18)(19,20,21,22)(23,24,25,26)/rA:26nCCOCOCCCCCCCOOCCCOOCCCOOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;s15;s9;d17;s17;s19;s20;s8;d22;s22;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22O8 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5356 |
Area: | 613.491 |
Solvation: | -4.80167 |
Coulombic: | -75.4918 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 366.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 3.46 |
LogP (Chemaxon): | 1.61 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|