1,4:3,6-Dianhydro-2-deoxy-5-O-[(4-phenoxyphenyl)carbamoyl]-2-[(4-phenyl-2-pyrimidinyl)amino]-D-glucitol

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

ID: Reference12520

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[(4-phenyl-2-pyrimidinyl)amino]-, 5-[(4-phenoxyphenyl)carbamate];
NAT6-318812

Formula: C29H26N4O5

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-5-O-[(4-phenoxyphenyl)carbamoyl]-2-[(4-phenyl-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 1725
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/12/2023 1:10:57 PM
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Identificators

InChI InChI=1S/C29H26N4O5/c34-29(31-20-11-13-22(14-12-20)37-21-9-5-2-6-10-21)38-25-18-36-26-24(17-35-27(25)26)33-28-30-16-15-23(32-28)19-7-3-1-4-8-19/h1-16,24-27H,17-18H2,(H,31,34)(H,30,32,33)/t24-,25+,26+,27+/m0/s1
InChI Key BFBPBUZOMWAOQI-FICKONGGSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)NC5=NC=CC(=N5)C6=CC=CC=C6
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[(4-phenyl-2-pyrimidinyl)amino]-, 5-[(4-phenoxyphenyl)carbamate];
NAT6-318812

In Other Databases

ChemSpider 10086318
PubChem 11911995