For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(ALPHA,BETA:BETA,GAMMA-BIS-METHYLENE)-DIADENOSINE-TRIPHOSPHATE-TRISODIUM-SALT
SpectraBase Compound ID 6Eyavc9m8mW
InChI InChI=1S/C22H31N10O14P3.3Na/c23-17-11-19(27-3-25-17)31(5-29-11)21-15(35)13(33)9(45-21)1-43-48(39,40)7-47(37,38)8-49(41,42)44-2-10-14(34)16(36)22(46-10)32-6-30-12-18(24)26-4-28-20(12)32;;;/h3-6,9-10,13-16,21-22,33-36H,1-2,7-8H2,(H,37,38)(H,39,40)(H,41,42)(H2,23,25,27)(H2,24,26,28);;;/q;3*+1/p-3/t9-,10+,13-,14+,15-,16+,21-,22+;;;
InChIKey ZVQKHVOIVGUONK-APELKZNSSA-K
Mol Weight 818.41259384 g/mol
Molecular Formula C22H28N10Na3O14P3
Exact Mass 818.069239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LWeVFDyx88y
Name (ALPHA,BETA:BETA,GAMMA-BIS-METHYLENE)-DIADENOSINE-TRIPHOSPHATE-TRISODIUM-SALT
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28N10Na3O14P3
InChI InChI=1S/C22H31N10O14P3.3Na/c23-17-11-19(27-3-25-17)31(5-29-11)21-15(35)13(33)9(45-21)1-43-48(39,40)7-47(37,38)8-49(41,42)44-2-10-14(34)16(36)22(46-10)32-6-30-12-18(24)26-4-28-20(12)32;;;/h3-6,9-10,13-16,21-22,33-36H,1-2,7-8H2,(H,37,38)(H,39,40)(H,41,42)(H2,23,25,27)(H2,24,26,28);;;/q;3*+1/p-3/t9-,10+,13-,14+,15-,16+,21-,22+;;;
InChIKey ZVQKHVOIVGUONK-APELKZNSSA-K
Literature Reference Author E.KLEIN,S.MONS,A.VALLEIX,C.MIOSKOWSKI,L.LEBEAU
Literature Reference Citation J.ORG.CHEM.,67,146(2002)
Literature Reference DOI 10.1021/jo015836e
Molecular Weight 818.414 g/mol
Solvent D2O
Source File Reference UWMS24248