(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]butan-2-yl]oxyoxane-3,4,5-triol
PubChem CID: 102023621
Connections displayed (default: 10).
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| Topological Polar Surface Area | 132.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | HIPZPDCUYJVSFO-QFTWXZDVSA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 27.0 |
| Compound Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]butan-2-yl]oxyoxane-3,4,5-triol |
| Exact Mass | 390.225 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 390.225 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 390.5 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]butan-2-yl]oxyoxane-3,4,5-triol |
| Total Atom Stereocenter Count | 9.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H34O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h10-16,20-24H,5-9H2,1-4H3/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1 |
| Smiles | C[C@H](CC[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Xlogp | -0.1 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H34O8 |
- 1. Outgoing r'ship
FOUND_INto/from Volkameria Inermis (Plant) Rel Props:Source_db:npass_chem_all