(2R)-2-hydroxy(313C)butanedioic acid
PubChem CID: 10953564
Connections displayed (default: 10).
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| Topological Polar Surface Area | 94.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-hydroxy(313C)butanedioic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.3 |
| Molecular Formula | C4H6O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJEPYKJPYRNKOW-DOCFYQGNSA-N |
| Fcsp3 | 0.5 |
| Logs | 0.114 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.459 |
| Compound Name | (2R)-2-hydroxy(313C)butanedioic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 135.025 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.025 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 135.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.31430799999200026 |
| Inchi | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1/i1+1 |
| Smiles | [13CH2]([C@H](C(=O)O)O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Antiaris Toxicaria (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Thevetia Neriifolia (Plant) Rel Props:Source_db:cmaup_ingredients