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Chemical ID: 5209465
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.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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