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O-(2,3,4,6-Tetra-O-acetyl-b-d-glucopyranosyl)-N,N'-bis-(2-chloroethyl)-phosphordiamidate

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O-(2,3,4,6-Tetra-O-acetyl-b-d-glucopyranosyl)-N,N'-bis-(2-chloroethyl)-phosphordiamidate
SpectraBase Compound ID FtNVlpMEDuq
InChI InChI=1S/C18H29Cl2N2O11P/c1-10(23)28-9-14-15(29-11(2)24)16(30-12(3)25)17(31-13(4)26)18(32-14)33-34(27,21-7-5-19)22-8-6-20/h14-18H,5-9H2,1-4H3,(H2,21,22,27)/t14-,15+,16-,17-,18-/m0/s1
InChIKey LECABRKJVPIHJX-ADHGMGHFSA-N
Mol Weight 551.31 g/mol
Molecular Formula C18H29Cl2N2O11P
Exact Mass 550.088602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vIEvVqNSHn
Name o-(2,3,4,6-Tetra-o-acetyl-B-D-glucopyranosyl)-N,N'-bis-(2-chloroethyl)-phosphordiamidate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.088602149 u
Formula C18H29Cl2N2O11P
InChI InChI=1S/C18H29Cl2N2O11P/c1-10(23)28-9-14-15(29-11(2)24)16(30-12(3)25)17(31-13(4)26)18(32-14)33-34(27,21-7-5-19)22-8-6-20/h14-18H,5-9H2,1-4H3,(H2,21,22,27)/t14-,15+,16-,17-,18-/m0/s1
InChIKey LECABRKJVPIHJX-ADHGMGHFSA-N
Molecular Weight 551.313 g/mol
SMILES N(P(O[C@@]1(O[C@]([C@]([C@@]([C@@]1(OC(C)=O)[H])(OC(=O)C)[H])(OC(C)=O)[H])(COC(=O)C)[H])[H])(=O)NCCCl)CCCl