1,4:3,6-Dianhydro-2-deoxy-5-O-{[3-(ethoxycarbonyl)phenyl]carbamoyl}-2-{5-[(2-furylmethyl)sulfanyl]-1H-tetrazol-1-yl}-D-glucitol

enlarge

Systematic / IUPAC Name: Ethyl 3-[[(3S,3aR,6R,6aS)-3-[5-(furan-2-ylmethylsulfanyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonylamino]benzoate

ID: Reference12459

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-, 5-[[3-(ethoxycarbonyl)phenyl]carbamate];
NAT6-296044

Formula: C22H23N5O7S

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-5-O-{[3-(ethoxycarbonyl)phenyl]carbamoyl}-2-{5-[(2-furylmethyl)sulfanyl]-1H-tetrazol-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 1898
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/17/2023 1:16:59 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H23N5O7S/c1-2-30-20(28)13-5-3-6-14(9-13)23-22(29)34-17-11-33-18-16(10-32-19(17)18)27-21(24-25-26-27)35-12-15-7-4-8-31-15/h3-9,16-19H,2,10-12H2,1H3,(H,23,29)/t16-,17+,18+,19+/m0/s1
InChI Key VMMMODQBIHXFGW-WJFTUGDTSA-N
Canonical SMILES CCOC(=O)C1=CC(=CC=C1)NC(=O)OC2COC3C2OCC3N4C(=NN=N4)SCC5=CC=CO5
CAS
Splash
Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-, 5-[[3-(ethoxycarbonyl)phenyl]carbamate];
NAT6-296044

In Other Databases

PubChem 11886014
ChemSpider 10060337