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o-(2,3,4,6-Tetra-o-benzyl-alpha-D-mannopyranosyl)-o-pivaloyl(pivaloyl)phosphonate
SpectraBase Compound ID HzpAOPHB0G2
InChI InChI=1S/C44H53O10P/c1-43(2,3)41(45)54-55(47,42(46)44(4,5)6)53-40-39(51-30-35-25-17-10-18-26-35)38(50-29-34-23-15-9-16-24-34)37(49-28-33-21-13-8-14-22-33)36(52-40)31-48-27-32-19-11-7-12-20-32/h7-26,36-40H,27-31H2,1-6H3/t36-,37-,38+,39+,40-,55?/m1/s1
InChIKey NRXGAFZIGSQIJO-YYEBTCMXSA-N
Mol Weight 772.9 g/mol
Molecular Formula C44H53O10P
Exact Mass 772.337635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LwgDWBdfH4
Name o-(2,3,4,6-Tetra-o-benzyl-alpha-D-mannopyranosyl)-o-pivaloyl(pivaloyl)phosphonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 772.337634895 u
Formula C44H53O10P
InChI InChI=1S/C44H53O10P/c1-43(2,3)41(45)54-55(47,42(46)44(4,5)6)53-40-39(51-30-35-25-17-10-18-26-35)38(50-29-34-23-15-9-16-24-34)37(49-28-33-21-13-8-14-22-33)36(52-40)31-48-27-32-19-11-7-12-20-32/h7-26,36-40H,27-31H2,1-6H3/t36-,37-,38+,39+,40-,55?/m1/s1
InChIKey NRXGAFZIGSQIJO-YYEBTCMXSA-N
Molecular Weight 772.872 g/mol
SMILES C(OP(=O)(C(=O)C(C)(C)C)O[C@@]1([C@]([C@]([C@@]([C@](O1)(COCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])(=O)C(C)(C)C