1,4:3,6-Dianhydro-2-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-5-O-(cyclohexylcarbamoyl)-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-cyclohexylcarbamate

ID: Reference12244

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-2-deoxy-, 5-(cyclohexylcarbamate);
NAT6-318372

Formula: C24H28N4O6

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-5-O-(cyclohexylcarbamoyl)-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 1680
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 9:19:11 PM
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Identificators

InChI InChI=1S/C24H28N4O6/c29-24(26-15-4-2-1-3-5-15)34-20-12-31-21-17(11-30-22(20)21)28-23-25-9-8-16(27-23)14-6-7-18-19(10-14)33-13-32-18/h6-10,15,17,20-22H,1-5,11-13H2,(H,26,29)(H,25,27,28)/t17-,20+,21+,22+/m0/s1
InChI Key MFSIVFNWQSFOIO-ZHNGQKSSSA-N
Canonical SMILES C1CCC(CC1)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-(cyclohexylcarbamate);
NAT6-318372

In Other Databases

ChemSpider 10087095
PubChem 11912772