1,4:3,6-Dianhydro-2-[5-(cyclopentylsulfanyl)-1H-tetrazol-1-yl]-2-deoxy-D-glucitol

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Systematic / IUPAC Name: (3S,3aR,6R,6aR)-3-(5-Cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

ID: Reference12704

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[5-(cyclopentylthio)-1H-tetrazol-1-yl]-2-deoxy-;
NAT6-296181

Formula: C12H18N4O3S

Spectral Data

1,4:3,6-Dianhydro-2-[5-(cyclopentylsulfanyl)-1H-tetrazol-1-yl]-2-deoxy-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 625
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/15/2023 8:18:09 AM
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Identificators

InChI InChI=1S/C12H18N4O3S/c17-9-6-19-10-8(5-18-11(9)10)16-12(13-14-15-16)20-7-3-1-2-4-7/h7-11,17H,1-6H2/t8-,9+,10+,11+/m0/s1
InChI Key UJANXZIBHJDNHX-LNFKQOIKSA-N
Canonical SMILES C1CCC(C1)SC2=NN=NN2C3COC4C3OCC4O
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-[5-(cyclopentylthio)-1H-tetrazol-1-yl]-2-deoxy-;
NAT6-296181

In Other Databases

PubChem 11886032
ChemSpider 10060355