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2,2'-{[2-amino-9-(beta-o-ribofuranosyl)-9H-purin-6-yl]imino]diethanol, monohydrate
SpectraBase Compound ID CBXgkhOvY8q
InChI InChI=1S/C14H22N6O6.H2O/c15-14-17-11(19(1-3-21)2-4-22)8-12(18-14)20(6-16-8)13-10(25)9(24)7(5-23)26-13;/h6-7,9-10,13,21-25H,1-5H2,(H2,15,17,18);1H2/t7-,9-,10-,13-;/m1./s1
InChIKey USGFLUDHGMXTFW-AZUPYXJKSA-N
Mol Weight 388.381 g/mol
Molecular Formula C14H24N6O7
Exact Mass 388.170647 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID J43ormzALSz
Name 2,2'-{[2-AMINO-9-(beta-D-RIBOFURANOSYL)-9H-PURIN-6-YL]IMINO}DIETHANOL, MONOHYDRATE
Source of Sample K. Kikugawa, Kohjin Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24N6O7
InChI InChI=1S/C14H22N6O6.H2O/c15-14-17-11(19(1-3-21)2-4-22)8-12(18-14)20(6-16-8)13-10(25)9(24)7(5-23)26-13;/h6-7,9-10,13,21-25H,1-5H2,(H2,15,17,18);1H2/t7-,9-,10-,13-;/m1./s1
InChIKey USGFLUDHGMXTFW-AZUPYXJKSA-N
Literature Reference J. MED. CHEM. 16, 358(1973)
Melting Point 123-124C (dec.)
Molecular Weight 388.381012
Synonyms ETHANOL, 2,2*-//2-AMINO- 9-/B-D-RIBOFURANOSYL/-9H-PURIN-6-YL/- IMINO/DI-, MONOHYDRATE 9H-PURINE, 2-AMINO-6-/BIS/2-HYDROXY- ETHYL/AMINO/-9-/B-D-RIBOFURANOSYL/-, MONOHYDRATE
Technique KBr WAFER