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1-deoxy-1-(2-oxo-1(2H)-pyrimidinyl)-beta-D-glucopyranuronic acid, methyl ester, triacetate
SpectraBase Compound ID 3knMDMbLckh
InChI InChI=1S/C17H20N2O10/c1-8(20)26-11-12(27-9(2)21)14(16(23)25-4)29-15(13(11)28-10(3)22)19-7-5-6-18-17(19)24/h5-7,11-15H,1-4H3/t11-,12-,13+,14-,15+/m0/s1
InChIKey XALZNFWRYDGUPO-SBJFKYEJSA-N
Mol Weight 412.35 g/mol
Molecular Formula C17H20N2O10
Exact Mass 412.111795 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9mnOUtnDlrH
Name 1-DEOXY-1-(2-OXO-1(2H)-PYRIMIDINYL)-beta-D-GLUCOPYRANURONIC ACID, METHYL ESTER, TRIACETATE
Source of Sample R. Mahrwald, Academy of Sciences, Berlin, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O10
InChI InChI=1S/C17H20N2O10/c1-8(20)26-11-12(27-9(2)21)14(16(23)25-4)29-15(13(11)28-10(3)22)19-7-5-6-18-17(19)24/h5-7,11-15H,1-4H3/t11-,12-,13+,14-,15+/m0/s1
InChIKey XALZNFWRYDGUPO-SBJFKYEJSA-N
Literature Reference PHARMAZIE 37, 257(1982) Abstract-Chemical Abstracts= 97, 163383(1982)
Melting Point 238-240C
Molecular Weight 412.351013
Optical Properties Optical Rotation= (20C) +74.1 (c=2.0, CHCl3)
Synonyms GLUCOPYRANURONIC ACID, B-D-, 1-DE- OXY-1-/2-OXO-1/2H/-PYRIMIDINYL/-, METHYL ESTER, TRIACETATE
Technique KBr WAFER