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Diethyl 1-alpha-N-methylcarboxamido-2-alpha-methyl-3-alpha-hydroxymethyl-1-cyclopropyl phosphonate and Diethyl 1-alpha-N-methylcarboxamido-2-beta-methyl-3-alpha-hydroxymethyl-1-cyclopropyl phosphonate
SpectraBase Compound ID IbWAuCvnMbY
InChI InChI=1S/2C11H22NO5P/c2*1-5-16-18(15,17-6-2)11(10(14)12-4)8(3)9(11)7-13/h2*8-9,13H,5-7H2,1-4H3,(H,12,14)/t8-,9+,11+;8-,9-,11-/m10/s1
InChIKey CNENBHFWFVQPDB-VAWBZDSUSA-N
Mol Weight 558.55 g/mol
Molecular Formula C22H44N2O10P2
Exact Mass 558.24712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IpoVPtQYJK
Name Diethyl 1-alpha-N-methylcarboxamido-2-alpha-methyl-3-alpha-hydroxymethyl-1-cyclopropyl phosphonate and Diethyl 1-alpha-N-methylcarboxamido-2-beta-methyl-3-alpha-hydroxymethyl-1-cyclopropyl phosphonate
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Formula C22H44N2O10P2
InChI InChI=1S/2C11H22NO5P/c2*1-5-16-18(15,17-6-2)11(10(14)12-4)8(3)9(11)7-13/h2*8-9,13H,5-7H2,1-4H3,(H,12,14)/t8-,9+,11+;8-,9-,11-/m10/s1
InChIKey CNENBHFWFVQPDB-VAWBZDSUSA-N
Molecular Weight 558.546 g/mol
SMILES OC[C@]1([C@@]([C@]1(C(=O)NC)P(OCC)(OCC)=O)(C)[H])[H].N(C)C([C@]1([C@@](CO)([C@]1(C)[H])[H])P(OCC)(OCC)=O)=O
SPLASH splash10-0a4s-0090000000-c4009a4fdc54651c05d6
Source of Spectrum HAC-12-93-7b'+7c'
Synonyms Diethyl ((1S,2R,3R)-2-(hydroxymethyl)-3-methyl-1-(methylcarbamoyl)cyclopropyl)phosphonate-diethyl ((1S,2R,3S)-2-(hydroxymethyl)-3-methyl-1-(methylcarbamoyl)cyclopropyl)phosphonate (1/1)
Wiley ID 1783314