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

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

ID: Reference12243

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-2-deoxy-, 5-[(3-acetylphenyl)carbamate];
NAT6-318364

Formula: C26H24N4O7

Spectral Data

5-O-[(3-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-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 2299
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 9:18:31 PM
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Identificators

InChI InChI=1S/C26H24N4O7/c1-14(31)15-3-2-4-17(9-15)28-26(32)37-22-12-34-23-19(11-33-24(22)23)30-25-27-8-7-18(29-25)16-5-6-20-21(10-16)36-13-35-20/h2-10,19,22-24H,11-13H2,1H3,(H,28,32)(H,27,29,30)/t19-,22+,23+,24+/m0/s1
InChI Key DKOJXKYCTNYRME-GDKQOWJMSA-N
Canonical SMILES CC(=O)C1=CC(=CC=C1)NC(=O)OC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC6=C(C=C5)OCO6
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-2-deoxy-, 5-[(3-acetylphenyl)carbamate];
NAT6-318364

In Other Databases

ChemSpider 10087093
PubChem 11912770