(2S,3S,4S,5S)-2-[(2R)-2,3-dihydroxypropoxy]-5-(dimethylarsorylmethyl)oxolane-3,4-diol
PubChem CID: 162928484
Connections displayed (default: 10).
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| Topological Polar Surface Area | 116.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 305.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3S,4S,5S)-2-[(2R)-2,3-dihydroxypropoxy]-5-(dimethylarsorylmethyl)oxolane-3,4-diol |
| Prediction Hob | 0.0 |
| Molecular Formula | C10H21AsO7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPGHDFGTUWSQOQ-VFCFLDTKSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.899 |
| Rotatable Bond Count | 6.0 |
| Logd | -1.13 |
| Compound Name | (2S,3S,4S,5S)-2-[(2R)-2,3-dihydroxypropoxy]-5-(dimethylarsorylmethyl)oxolane-3,4-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.05 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.05 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 328.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H21AsO7/c1-11(2,16)3-7-8(14)9(15)10(18-7)17-5-6(13)4-12/h6-10,12-15H,3-5H2,1-2H3/t6-,7-,8-,9+,10+/m1/s1 |
| Smiles | C[As](=O)(C)C[C@@H]1[C@H]([C@@H]([C@H](O1)OC[C@@H](CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Conyza Filaginoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lactuca Virosa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Onychium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients