ChemDB: Chemical Search
Download
Chemical ID: 4942521
Chemical ID:
4942521
Name [?]:
None
SMILES [?]:
c1c2c3c4c(c(c(c(c4oc2=O)O)O)O)c(=O)oc3c(c1O)O
InChi [?]:
InChI=1/C14H6O9/c15-3-1-2-4-5-6(14(21)23-11(4)7(3)16)8(17)9(18)10(19)12(5)22-13(2)20/h1,15-19H
InChi Info:
AuxInfo=1/0/N:1,2,21,3,4,5,20,6,7,8,19,9,11,16,22,23,15,14,13,12,17,10,18/rA:23nCCCCCCCCCOCOOOOCOOCCCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;d11;s8;s7;s6;s5;d16;s16;s3s18;d19;d1s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H6O9 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.36269 |
Area: | 440.54 |
Solvation: | -9.65081 |
Coulombic: | -110.543 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 318.192 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -0.57 |
LogP (Chemaxon): | 3.03 |
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 |
---|