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

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Systematic / IUPAC Name: [(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] N-phenylcarbamate

ID: Reference12701

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-, 5-(phenylcarbamate);
NAT6-296038

Formula: C19H19N5O5S

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 937
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/15/2023 7:55:38 AM
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Identificators

InChI InChI=1S/C19H19N5O5S/c25-19(20-12-5-2-1-3-6-12)29-15-10-28-16-14(9-27-17(15)16)24-18(21-22-23-24)30-11-13-7-4-8-26-13/h1-8,14-17H,9-11H2,(H,20,25)/t14-,15+,16+,17+/m0/s1
InChI Key UDGBLNNBUKYSMC-YLFCFFPRSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=CC=C3)N4C(=NN=N4)SCC5=CC=CO5
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-, 5-(phenylcarbamate);
NAT6-296038

In Other Databases

PubChem 11886010
ChemSpider 10060333