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

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Systematic / IUPAC Name: Methyl 2-[[(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]oxycarbonylamino]benzoate

ID: Reference12046

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-2-deoxy-, 5-[[2-(methoxycarbonyl)phenyl]carbamate];
NAT6-318367

Formula: C26H24N4O8

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-2-deoxy-5-O-{[2-(methoxycarbonyl)phenyl]carbamoyl}-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 2792
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2022 9:43:29 AM
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Identificators

InChI InChI=1S/C26H24N4O8/c1-33-24(31)15-4-2-3-5-17(15)30-26(32)38-21-12-35-22-18(11-34-23(21)22)29-25-27-9-8-16(28-25)14-6-7-19-20(10-14)37-13-36-19/h2-10,18,21-23H,11-13H2,1H3,(H,30,32)(H,27,28,29)/t18-,21+,22+,23+/m0/s1
InChI Key BBMVZYCPTLMQGA-JBJBFBLISA-N
Canonical SMILES COC(=O)C1=CC=CC=C1NC(=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-[[2-(methoxycarbonyl)phenyl]carbamate];
NAT6-318367

In Other Databases

PubChem 11912771
ChemSpider 10087094