1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-2-{[4-(2-furyl)-2-pyrimidinyl]amino}-D-glucitol

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

ID: Reference12240

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-, 5-(cyclohexylcarbamate);
NAT6-318622

Formula: C21H26N4O5

Spectral Data

1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-2-{[4-(2-furyl)-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
No. of Spectral Trees 1
No. of Spectra 1460
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 9:15:47 PM
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Identificators

InChI InChI=1S/C21H26N4O5/c26-21(23-13-5-2-1-3-6-13)30-17-12-29-18-15(11-28-19(17)18)25-20-22-9-8-14(24-20)16-7-4-10-27-16/h4,7-10,13,15,17-19H,1-3,5-6,11-12H2,(H,23,26)(H,22,24,25)/t15-,17+,18+,19+/m0/s1
InChI Key HUXLGJLHVZDJED-JCHJZTRSSA-N
Canonical SMILES C1CCC(CC1)NC(=O)OC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=CO5
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-, 5-(cyclohexylcarbamate);
NAT6-318622

In Other Databases

ChemSpider 10086815
PubChem 11912492