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

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

ID: Reference12381

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-(phenylthio)-1H-tetrazol-1-yl]-, 5-(cyclohexylcarbamate);
NAT6-296003

Formula: C20H25N5O4S

Spectral Data

1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-2-[5-(phenylsulfanyl)-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 842
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2023 3:07:37 PM
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Identificators

InChI InChI=1S/C20H25N5O4S/c26-20(21-13-7-3-1-4-8-13)29-16-12-28-17-15(11-27-18(16)17)25-19(22-23-24-25)30-14-9-5-2-6-10-14/h2,5-6,9-10,13,15-18H,1,3-4,7-8,11-12H2,(H,21,26)/t15-,16+,17+,18+/m0/s1
InChI Key XFSHLBGWBCAMIF-BSDSXHPESA-N
Canonical SMILES C1CCC(CC1)NC(=O)OC2COC3C2OCC3N4C(=NN=N4)SC5=CC=CC=C5
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-(phenylthio)-1H-tetrazol-1-yl]-, 5-(cyclohexylcarbamate);
NAT6-296003

In Other Databases

PubChem 11885997
ChemSpider 10060320