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

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Systematic / IUPAC Name: (3S,3aR,6S,6aR)-6-N-[4-(Furan-2-yl)pyrimidin-2-yl]-3-N-[(4-phenylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine

ID: Reference12578

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[([1,1'-biphenyl]-4-ylmethyl)amino]-2,5-dideoxy-5-[[4-(2-furanyl)-2-pyrimidinyl]amino]-;
NAT6-320304

Formula: C27H26N4O3

Spectral Data

1,4:3,6-Dianhydro-2-[(4-biphenylylmethyl)amino]-2,5-dideoxy-5-{[4-(2-furyl)-2-pyrimidinyl]amino}-L-iditol 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 540
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 6/5/2023 2:43:44 PM
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Identificators

InChI InChI=1S/C27H26N4O3/c1-2-5-19(6-3-1)20-10-8-18(9-11-20)15-29-22-16-33-26-23(17-34-25(22)26)31-27-28-13-12-21(30-27)24-7-4-14-32-24/h1-14,22-23,25-26,29H,15-17H2,(H,28,30,31)/t22-,23-,25+,26+/m0/s1
InChI Key RIDWUXPTIWITDK-IHBRBHLJSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC3=NC=CC(=N3)C4=CC=CO4)NCC5=CC=C(C=C5)C6=CC=CC=C6
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[([1,1'-biphenyl]-4-ylmethyl)amino]-2,5-dideoxy-5-[[4-(2-furanyl)-2-pyrimidinyl]amino]-;
NAT6-320304

In Other Databases

PubChem 11912989
ChemSpider 10087312