(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl}-6-(tetrahydro-2H-pyran-4-ylamino)-D-erythro-hexitol
11164
Reference
(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl}-6-(tetrahydro-2H-pyran-4-ylamino)-D-erythro-hexitol Structure
Systematic / IUPAC Name: (2R,3S,6S)-2-[(Oxan-4-ylamino)methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
ID: Reference11164
Other Names: NAT12-540695
Formula: C22H30N2O5
Spectral Data
(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl}-6-(tetrahydro-2H-pyran-4-ylamino)-D-erythro-hexitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 864 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/28/2022 8:28:23 AM |
Identificators
| InChI | InChI=1S/C22H30N2O5/c25-21-7-6-19(28-22(21)14-23-16-8-10-26-11-9-16)12-17-13-20(29-24-17)15-27-18-4-2-1-3-5-18/h1-5,13,16,19,21-23,25H,6-12,14-15H2/t19-,21-,22+/m0/s1 |
| InChI Key | LQLITWLSOBIMQT-ILWGZMRPSA-N |
| Canonical SMILES | C1CC(C(OC1CC2=NOC(=C2)COC3=CC=CC=C3)CNC4CCOCC4)O |
| CAS | |
| Splash | |
| Other Names | NAT12-540695 |