Methyl 2,3-dihydroxy-2-(5-hydroxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-2-yl)propanoate
PubChem CID: 10430166
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| Compound Synonyms | C20H19NO7 |
|---|---|
| Topological Polar Surface Area | 117.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 642.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2,3-dihydroxy-2-(5-hydroxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-2-yl)propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C20H19NO7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AKJQUGNUJATZNP-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -3.946 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.709 |
| Compound Name | Methyl 2,3-dihydroxy-2-(5-hydroxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-2-yl)propanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 385.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 385.116 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 385.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1182064 |
| Inchi | InChI=1S/C20H19NO7/c1-21-12-6-4-3-5-10(12)18(24)16-13(23)8-14-11(17(16)21)7-15(28-14)20(26,9-22)19(25)27-2/h3-6,8,15,22-23,26H,7,9H2,1-2H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C(CO)(C(=O)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thamnosma Rhodesica (Plant) Rel Props:Source_db:cmaup_ingredients