5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-{[4-(2-methyl-2-propanyl)-2-pyrimidinyl]amino}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[(4-tert-Butylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate

ID: Reference8950

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-, 5-[(4-acetylphenyl)carbamate];
NAT6-318486

Formula: C23H28N4O5

Spectral Data

5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-{[4-(2-methyl-2-propanyl)-2-pyrimidinyl]amino}-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 2425
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/27/2019 6:17:19 AM
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Identificators

InChI InChI=1S/C23H28N4O5/c1-13(28)14-5-7-15(8-6-14)25-22(29)32-17-12-31-19-16(11-30-20(17)19)26-21-24-10-9-18(27-21)23(2,3)4/h5-10,16-17,19-20H,11-12H2,1-4H3,(H,25,29)(H,24,26,27)/t16-,17+,19+,20+/m0/s1
InChI Key QSMLXRCQAAMOEN-ONCXSQPRSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)OC2COC3C2OCC3NC4=NC=CC(=N4)C(C)(C)C
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-, 5-[(4-acetylphenyl)carbamate];
NAT6-318486

In Other Databases

PubChem 11913092
ChemSpider 10087415