(2R,3R,4R,5S,6R)-2-[(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 23304376
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 160.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | MFWQCQUSLBCVIU-AQIHWUKVSA-N |
| Fcsp3 | 0.8666666666666667 |
| Rotatable Bond Count | 7.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | (2R,3R,4R,5S,6R)-2-[(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.158 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 350.36 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (2R,3R,4R,5S,6R)-2-[(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | 0.9949432 |
| Inchi | InChI=1S/C15H26O9/c16-2-1-8-9(5-18)7(4-17)3-10(8)23-15-14(22)13(21)12(20)11(6-19)24-15/h8,10-22H,1-6H2/t8-,10-,11-,12-,13-,14-,15-/m1/s1 |
| Smiles | C1[C@H]([C@@H](C(=C1CO)CO)CCO)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O |
| Xlogp | -4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H26O9 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients