AllA(b1-2)a-D-Ara
PubChem CID: 162861046
Connections displayed (default: 10).
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| Topological Polar Surface Area | 186.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxane-2-carboxylic acid |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | -3.9 |
| Is Pains | False |
| Molecular Formula | C11H18O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPPOIQPQTVLBFD-KHBKAJOYSA-N |
| Fcsp3 | 0.9090909090909092 |
| Rotatable Bond Count | 3.0 |
| Compound Name | AllA(b1-2)a-D-Ara |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.085 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 326.085 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 326.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7733251999999999 |
| Inchi | InChI=1S/C11H18O11/c12-2-1-20-10(19)8(3(2)13)22-11-6(16)4(14)5(15)7(21-11)9(17)18/h2-8,10-16,19H,1H2,(H,17,18)/t2-,3-,4-,5+,6-,7+,8+,10+,11+/m1/s1 |
| Smiles | C1[C@H]([C@H]([C@@H]([C@H](O1)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Grazielia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Strychnos Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients