1,4:3,6-Dianhydro-2-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-[(methoxyacetyl)amino]-L-iditol

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

ID: Reference12037

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-2,5-dideoxy-5-[(2-methoxyacetyl)amino]-;
NAT6-319040

Formula: C20H22N4O6

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-[(methoxyacetyl)amino]-L-iditol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1547
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/10/2022 12:01:50 PM
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Identificators

InChI InChI=1S/C20H22N4O6/c1-26-9-17(25)22-13-7-27-19-14(8-28-18(13)19)24-20-21-5-4-12(23-20)11-2-3-15-16(6-11)30-10-29-15/h2-6,13-14,18-19H,7-10H2,1H3,(H,22,25)(H,21,23,24)/t13-,14-,18+,19+/m0/s1
InChI Key PGBALBIFUQLTQZ-YXUGBTPSSA-N
Canonical SMILES COCC(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-2,5-dideoxy-5-[(2-methoxyacetyl)amino]-;
NAT6-319040

In Other Databases

PubChem 11912185
ChemSpider 10086508