Methyl 2-[2,3-dimethoxy-6-methoxycarbonyl-4-(2,3,4-trimethoxy-6-methoxycarbonylphenoxy)phenyl]-3,4,5-trimethoxybenzoate
PubChem CID: 14187093
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| Topological Polar Surface Area | 162.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 47.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1010.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-[2,3-dimethoxy-6-methoxycarbonyl-4-(2,3,4-trimethoxy-6-methoxycarbonylphenoxy)phenyl]-3,4,5-trimethoxybenzoate |
| Prediction Hob | 0.0 |
| Xlogp | 4.4 |
| Molecular Formula | C32H36O15 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZMUDBUEZHFABW-UHFFFAOYSA-N |
| Fcsp3 | 0.34375 |
| Logs | -5.481 |
| Rotatable Bond Count | 17.0 |
| Logd | 3.124 |
| Compound Name | Methyl 2-[2,3-dimethoxy-6-methoxycarbonyl-4-(2,3,4-trimethoxy-6-methoxycarbonylphenoxy)phenyl]-3,4,5-trimethoxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 660.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 660.205 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 660.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.87557925531915 |
| Inchi | InChI=1S/C32H36O15/c1-36-18-12-15(30(33)44-9)21(27(41-6)24(18)38-3)22-16(31(34)45-10)13-20(26(40-5)28(22)42-7)47-23-17(32(35)46-11)14-19(37-2)25(39-4)29(23)43-8/h12-14H,1-11H3 |
| Smiles | COC1=C(C(=C(C(=C1)C(=O)OC)C2=C(C(=C(C=C2C(=O)OC)OC3=C(C(=C(C=C3C(=O)OC)OC)OC)OC)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients