#40;[(2S)-3-(6-AMINO-9H-PURIN-9-YL)-2-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3-YL)-PROPYL]-3,4-BIS-O-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3

SpectraBase Compound ID	3Z1g8mXy7Kl
InChI	InChI=1S/C44H46N5O15P3/c45-42-39-43(47-28-46-42)49(29-48-39)18-37(62-65(50)56-20-31-12-4-5-13-32(31)21-57-65)26-54-44-41(53-19-30-10-2-1-3-11-30)40(64-67(52)60-24-35-16-8-9-17-36(35)25-61-67)38(27-55-44)63-66(51)58-22-33-14-6-7-15-34(33)23-59-66/h1-17,28-29,37-38,40-41,44H,18-27H2,(H2,45,46,47)/t37-,38-,40-,41+,44-/m1/s1
InChIKey	WIBFJEXVMYXXIV-WBYNBMEXSA-N Google Search
Mol Weight	977.8 g/mol
Molecular Formula	C44H46N5O15P3
Exact Mass	977.220327 g/mol

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SpectraBase Spectrum ID	BnoYgiqjzub
Name	#40;[(2S)-3-(6-AMINO-9H-PURIN-9-YL)-2-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3-YL)-PROPYL]-3,4-BIS-O-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C44H46N5O15P3
InChI	InChI=1S/C44H46N5O15P3/c45-42-39-43(47-28-46-42)49(29-48-39)18-37(62-65(50)56-20-31-12-4-5-13-32(31)21-57-65)26-54-44-41(53-19-30-10-2-1-3-11-30)40(64-67(52)60-24-35-16-8-9-17-36(35)25-61-67)38(27-55-44)63-66(51)58-22-33-14-6-7-15-34(33)23-59-66/h1-17,28-29,37-38,40-41,44H,18-27H2,(H2,45,46,47)/t37-,38-,40-,41+,44-/m1/s1
InChIKey	WIBFJEXVMYXXIV-WBYNBMEXSA-N
Literature Reference Author	F.ROUSSEL,N.MOITESSIER,M.HILLY,F.CHRETIEN,J.P.MAUGER,Y.CHAPL EUR
Literature Reference Citation	BIOORG.MED.CHEM.,10,759(2002)
Literature Reference DOI	10.1016/S0968-0896(01)00329-7
Molecular Weight	977.795 g/mol
Solvent	CDCl3
Source File Reference	UWLU30959