(1R)-1-(dioxiran-3-yl)ethane-1,2-diol
PubChem CID: 57339130
Connections displayed (default: 10).
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| Topological Polar Surface Area | 65.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 60.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-1-(dioxiran-3-yl)ethane-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Molecular Formula | C3H6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YJYNSCFFHXPCMQ-UWTATZPHSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.49 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.119 |
| Compound Name | (1R)-1-(dioxiran-3-yl)ethane-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 106.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 106.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 106.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.4155226000000002 |
| Inchi | InChI=1S/C3H6O4/c4-1-2(5)3-6-7-3/h2-5H,1H2/t2-/m1/s1 |
| Smiles | C([C@H](C1OO1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cynanchum Thesioides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients