1,4:3,6-Dianhydro-2-deoxy-2-{5-[(2-furylmethyl)sulfanyl]-1H-tetrazol-1-yl}-5-O-(1-naphthylcarbamoyl)-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-naphthalen-1-ylcarbamate

ID: Reference12458

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-, 5-(1-naphthalenylcarbamate);
NAT6-296043

Formula: C23H21N5O5S

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-{5-[(2-furylmethyl)sulfanyl]-1H-tetrazol-1-yl}-5-O-(1-naphthylcarbamoyl)-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 1072
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/17/2023 1:14:48 PM
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Identificators

InChI InChI=1S/C23H21N5O5S/c29-23(24-17-9-3-6-14-5-1-2-8-16(14)17)33-19-12-32-20-18(11-31-21(19)20)28-22(25-26-27-28)34-13-15-7-4-10-30-15/h1-10,18-21H,11-13H2,(H,24,29)/t18-,19+,20+,21+/m0/s1
InChI Key ZWNDTABHZQBYDK-DOIPELPJSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=CC4=CC=CC=C43)N5C(=NN=N5)SCC6=CC=CO6
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-(1-naphthalenylcarbamate);
NAT6-296043

In Other Databases

PubChem 11886013
ChemSpider 10060336