1,4:3,6-Dianhydro-2-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-2-deoxy-5-O-[(4-phenoxyphenyl)carbamoyl]-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-(4-phenoxyphenyl)carbamate

ID: Reference12415

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-2-deoxy-, 5-[(4-phenoxyphenyl)carbamate];
NAT6-318362

Formula: C30H26N4O7

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-2-deoxy-5-O-[(4-phenoxyphenyl)carbamoyl]-D-glucitol 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 1640
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/31/2023 3:01:44 PM
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Identificators

InChI InChI=1S/C30H26N4O7/c35-30(32-19-7-9-21(10-8-19)40-20-4-2-1-3-5-20)41-26-16-37-27-23(15-36-28(26)27)34-29-31-13-12-22(33-29)18-6-11-24-25(14-18)39-17-38-24/h1-14,23,26-28H,15-17H2,(H,32,35)(H,31,33,34)/t23-,26+,27+,28+/m0/s1
InChI Key LMNMCOYAPSTYAR-ZKFXSTKWSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)NC5=NC=CC(=N5)C6=CC7=C(C=C6)OCO7
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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-[(4-phenoxyphenyl)carbamate];
NAT6-318362

In Other Databases

PubChem 11913101
ChemSpider 10087424