(2S,3R,4S,5R)-5-(hydroxymethyl)(2,3-13C2)oxolane-2,3,4-triol
PubChem CID: 11959768
Connections displayed (default: 10).
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| Topological Polar Surface Area | 90.2 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 2.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3R,4S,5R)-5-(hydroxymethyl)(2,3-13C2)oxolane-2,3,4-triol |
| Prediction Hob | 1.0 |
| Xlogp | -2.0 |
| Molecular Formula | C5H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMFHBZSHGGEWLO-IESKFMFWSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.689 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.758 |
| Compound Name | (2S,3R,4S,5R)-5-(hydroxymethyl)(2,3-13C2)oxolane-2,3,4-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.06 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.06 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 152.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.744488799984 |
| Inchi | InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1/i4+1,5+1 |
| Smiles | C([C@@H]1[C@H]([13C@H]([13C@H](O1)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phragmites Australis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients