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

ID: Reference8951

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-2-deoxy-, 5-[(phenylmethyl)carbamate];
NAT6-318374

Formula: C25H24N4O6

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-5-O-(benzylcarbamoyl)-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 3182
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/27/2019 6:20:18 AM
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Identificators

InChI InChI=1S/C25H24N4O6/c30-25(27-11-15-4-2-1-3-5-15)35-21-13-32-22-18(12-31-23(21)22)29-24-26-9-8-17(28-24)16-6-7-19-20(10-16)34-14-33-19/h1-10,18,21-23H,11-14H2,(H,27,30)(H,26,28,29)/t18-,21+,22+,23+/m0/s1
InChI Key WHRPEBDUMSQVPA-JBJBFBLISA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NCC3=CC=CC=C3)NC4=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-[(phenylmethyl)carbamate];
NAT6-318374

In Other Databases

ChemSpider 10087428
PubChem 11913105