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p-{2-{[2-amino-9-(beta-D-ribofuranosyl)-9H-purin-6-yl]amino}ethyl}-phenol, monohydrate
SpectraBase Compound ID JP7UabdmGaM
InChI InChI=1S/C18H22N6O5.H2O/c19-18-22-15(20-6-5-9-1-3-10(26)4-2-9)12-16(23-18)24(8-21-12)17-14(28)13(27)11(7-25)29-17;/h1-4,8,11,13-14,17,25-28H,5-7H2,(H3,19,20,22,23);1H2/t11-,13-,14-,17-;/m1./s1
InChIKey KOIGAOCZFNGWFR-TZNCIMHNSA-N
Mol Weight 420.426 g/mol
Molecular Formula C18H24N6O6
Exact Mass 420.175733 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HKCfpYebrvx
Name p-{2-{[2-AMINO-9-(beta-D-RIBOFURANOSYL)-9H-PURIN-6-YL]AMINO}ETHYL}PHENOL, MONOHYDRATE
Source of Sample K. Kikugawa, Kohjin Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N6O6
InChI InChI=1S/C18H22N6O5.H2O/c19-18-22-15(20-6-5-9-1-3-10(26)4-2-9)12-16(23-18)24(8-21-12)17-14(28)13(27)11(7-25)29-17;/h1-4,8,11,13-14,17,25-28H,5-7H2,(H3,19,20,22,23);1H2/t11-,13-,14-,17-;/m1./s1
InChIKey KOIGAOCZFNGWFR-TZNCIMHNSA-N
Literature Reference J. MED. CHEM. 16, 358(1973)
Melting Point 137-139C (dec.)
Molecular Weight 420.425995
Synonyms 9H-PURINE, 2-AMINO-6-//P-HYDROXY- PHENETHYL/AMINO/-9-/B-D-RIBOFURANOS- YL/-, MONOHYDRATE PHENOL, P-/2-//2-AMINO-9-/B-D-RIBO- FURANOSYL/-9H-PURIN-6-YL/AMINO/ETHYL/- MONOHYDRATE
Technique KBr WAFER