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1-o-Methyl-4,6-o-benzylidene-2,3-dideoxy-.alpha.,D-glucopyranosido[2,3-H]-N-(o,o-diethylphosphonopropyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-o-Methyl-4,6-o-benzylidene-2,3-dideoxy-.alpha.,D-glucopyranosido[2,3-H]-N-(o,o-diethylphosphonopropyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
SpectraBase Compound ID LgrlccFHlkE
InChI InChI=1S/C29H48NO11P/c1-4-38-42(31,39-5-2)21-9-12-30-13-15-33-17-19-35-26-25-24(22-37-28(41-25)23-10-7-6-8-11-23)40-29(32-3)27(26)36-20-18-34-16-14-30/h6-8,10-11,24-29H,4-5,9,12-22H2,1-3H3/t24-,25-,26+,27-,28?,29+/m1/s1
InChIKey WLRRTPIJPPCEOZ-ICHYBAGLSA-N
Mol Weight 617.7 g/mol
Molecular Formula C29H48NO11P
Exact Mass 617.296498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbWqHubwZap
Name 1-o-Methyl-4,6-o-benzylidene-2,3-dideoxy-.alpha.,D-glucopyranosido[2,3-H]-N-(o,o-diethylphosphonopropyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 617.296498357 u
Formula C29H48NO11P
InChI InChI=1S/C29H48NO11P/c1-4-38-42(31,39-5-2)21-9-12-30-13-15-33-17-19-35-26-25-24(22-37-28(41-25)23-10-7-6-8-11-23)40-29(32-3)27(26)36-20-18-34-16-14-30/h6-8,10-11,24-29H,4-5,9,12-22H2,1-3H3/t24-,25-,26+,27-,28?,29+/m1/s1
InChIKey WLRRTPIJPPCEOZ-ICHYBAGLSA-N
Molecular Weight 617.673 g/mol
SMILES [C@@]12([C@]3([C@](OCCOCCN(CCOCCO3)CCCP(=O)(OCC)OCC)([H])[C@](O[C@@]1(COC(O2)C1=CC=CC=C1)[H])(OC)[H])[H])[H]