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(+/-)-CIS-1,1-DIFLUORO-2-[(3S*,4S*)-3-[(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-TETRAHYDRO-3-FURANYL]-ETHYL-PHOSPHONIC-ACID

View entire compound with spectra: 3 NMR

(+/-)-CIS-1,1-DIFLUORO-2-[(3S*,4S*)-3-[(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-TETRAHYDRO-3-FURANYL]-ETHYL-PHOSPHONIC-ACID
SpectraBase Compound ID 9Nv70BSefeP
InChI InChI=1S/2C12H15F2N4O5P/c2*13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h2*5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t2*7-,8+/m00/s1
InChIKey VMBCLLGNVPAGKH-NXBQKRIGSA-N
Mol Weight 728.49 g/mol
Molecular Formula C24H30F4N8O10P2
Exact Mass 728.149626 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LvDyCV1lzK
Name (+/-)-CIS-1,1-DIFLUORO-2-[(3S*,4S*)-3-[(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-TETRAHYDRO-3-FURANYL]-ETHYL-PHOSPHONIC-ACID
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26F4N8O10P2
InChI InChI=1S/2C12H15F2N4O5P/c2*13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h2*5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t2*7-,8+/m00/s1
InChIKey VMBCLLGNVPAGKH-NXBQKRIGSA-N
Literature Reference Author T.YOKOMATSU,Y.HAYAKAWA,T.KIHARA,S.KOYANAGI,S.SOEDA,H.SHIMENO ,S.SHIBUYA
Literature Reference Citation BIOORG.MED.CHEM.,8,2571(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00192-9
Solvent CD3OD
Source File Reference UWVN20461