3,5-Dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid
PubChem CID: 73289
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| Compound Synonyms | 47307-06-2, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid, 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoic acid, 3,5-Dihydroxy-4-((3,4,5-trihydroxybenzoyl)oxy)benzoic acid, EINECS 256-307-7, DTXSID70197097, SCHEMBL2050244, DTXCID80119588, OVPHIYQDYJLKEW-UHFFFAOYSA-N, Benzoic acid, 3,5-dihydroxy-4-((3,4,5-trihydroxybenzoyl)oxy)-, NS00031676, 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-benzoic acid, 256-307-7 |
|---|---|
| Topological Polar Surface Area | 165.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 430.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 1.1 |
| Molecular Formula | C14H10O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVPHIYQDYJLKEW-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.356 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.451 |
| Compound Name | 3,5-Dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.032 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 322.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6402819565217395 |
| Inchi | InChI=1S/C14H10O9/c15-7-3-6(4-8(16)11(7)19)14(22)23-12-9(17)1-5(13(20)21)2-10(12)18/h1-4,15-19H,(H,20,21) |
| Smiles | C1=C(C=C(C(=C1O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)C(=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Koelreuteria Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients