Chemical ID: 5209465

Cc1cc(c(c2c1C(=O)Oc3c(c(c(c(c3O2)C)C(=O)O)O)COC(=O)C=CC(=O)O)C=O)O
Chemical ID:
5209465
Name [?]:
None
SMILES [?]:
Cc1cc(c(c2c1C(=O)Oc3c(c(c(c(c3O2)C)C(=O)O)O)COC(=O)C=CC(=O)O)C=O)O
InChi [?]:
InChI=1/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,18,28,27,3,32,23,2,15,5,12,4,29,25,7,14,13,16,6,11,19,8,33,34,30,31,26,22,20,21,9,24,17,10/E:(25,26)(29,30)/rA:34nCCCCCCCCOOCCCCCCOCCOOOCOCOCCCOOCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s6s16;s15;s14;d19;s19;s13;s12;s23;s24;d25;s25;w27;s28;d29;s29;s5;d32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16O12
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:7.11315
Area:650.878
Solvation:-9.15879
Coulombic:-133.434
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:472.355
H-Bond Donors:4
H-Bond Acceptors:12
XLogP:2.94
LogP (Chemaxon):3.32

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue