| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 23 | No |
Popular Name: 9-Benzyl-1-oxa-9-azaspiro[5.5]undec-4-yl methanesulfonate hydrochloride 9-Benzyl-1-oxa-9-azaspiro[5.5]un…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1332529-68-6 , 503551-94-8
1-oxa-9-azaspiro[5.5]undecan-4-ol, 9-(phenylmethyl)-, methanesulfonate (ester)
1-oxa-9-azaspiro[5.5]undecan-4-ol, 9-(phenylmethyl)-, methanesulfonate (ester), hydrochloride
9-benzyl-1-oxa-9-azaspiro[5.5]undec-4-yl methanesulfonate
9-Benzyl-1-oxa-9-azaspiro[5.5]undec-4-ylmethanesulfonate hydrochloride
9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-yl methanesulfonate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.94 | 6.52 | -50.99 | 1 | 5 | 1 | 57 | 340.465 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 4.28 | -11.7 | 0 | 5 | 0 | 56 | 339.457 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![5-oxa-9-azaspiro[5.5]undecane](http://zinc12.docking.org/img/rings/286901.gif)
![9-benzyl-5-oxa-9-azaspiro[5.5]undecane](http://zinc12.docking.org/img/rings/286902.gif)