1,4:3,6-Dianhydro-5-O-[(3-cyanophenyl)carbamoyl]-2-deoxy-2-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-D-glucitol

enlarge

Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[4-(Methoxymethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-cyanophenyl)carbamate

ID: Reference12495

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-, 5-[(3-cyanophenyl)carbamate];
NAT6-305151

Formula: C18H19N5O5

Spectral Data

1,4:3,6-Dianhydro-5-O-[(3-cyanophenyl)carbamoyl]-2-deoxy-2-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-D-glucitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1544
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/27/2023 2:24:28 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H19N5O5/c1-25-8-13-7-23(22-21-13)14-9-26-17-15(10-27-16(14)17)28-18(24)20-12-4-2-3-11(5-12)6-19/h2-5,7,14-17H,8-10H2,1H3,(H,20,24)/t14-,15+,16+,17+/m0/s1
InChI Key UHHFWWRZEMHKAB-YLFCFFPRSA-N
Canonical SMILES COCC1=CN(N=N1)C2COC3C2OCC3OC(=O)NC4=CC=CC(=C4)C#N
CAS
Splash
Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-, 5-[(3-cyanophenyl)carbamate];
NAT6-305151

In Other Databases

ChemSpider 10060981
PubChem 11886658