5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-{5-[4-(4-morpholinylmethyl)phenyl]-1H-tetrazol-1-yl}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[5-[4-(Morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate

ID: Reference12362

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[4-(4-morpholinylmethyl)phenyl]-1H-tetrazol-1-yl]-, 5-[(4-acetylphenyl)carbamate];
NAT6-296454

Formula: C27H30N6O6

Spectral Data

5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-{5-[4-(4-morpholinylmethyl)phenyl]-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 2085
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/10/2023 8:35:27 AM
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Identificators

InChI InChI=1S/C27H30N6O6/c1-17(34)19-6-8-21(9-7-19)28-27(35)39-23-16-38-24-22(15-37-25(23)24)33-26(29-30-31-33)20-4-2-18(3-5-20)14-32-10-12-36-13-11-32/h2-9,22-25H,10-16H2,1H3,(H,28,35)/t22-,23+,24+,25+/m0/s1
InChI Key YQWHEGDPSKPTFA-ZYQDXHPFSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)OC2COC3C2OCC3N4C(=NN=N4)C5=CC=C(C=C5)CN6CCOCC6
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[4-(4-morpholinylmethyl)phenyl]-1H-tetrazol-1-yl]-, 5-[(4-acetylphenyl)carbamate];
NAT6-296454

In Other Databases

PubChem 11886088
ChemSpider 10060411