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2-pyrimidinyl beta-D-glucopyranosiduronic acid, methyl ester, triacetate
SpectraBase Compound ID 6eFIg8Ei7fk
InChI InChI=1S/C17H20N2O10/c1-8(20)25-11-12(26-9(2)21)14(27-10(3)22)16(28-13(11)15(23)24-4)29-17-18-6-5-7-19-17/h5-7,11-14,16H,1-4H3/t11-,12-,13-,14+,16-/m0/s1
InChIKey ICFKGWBDXADCKV-IPVBOJNNSA-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 4DRjMPEWbY3
Name 2-PYRIMIDINYL beta-D-GLUCOPYRANOSIDURONIC 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)25-11-12(26-9(2)21)14(27-10(3)22)16(28-13(11)15(23)24-4)29-17-18-6-5-7-19-17/h5-7,11-14,16H,1-4H3/t11-,12-,13-,14+,16-/m0/s1
InChIKey ICFKGWBDXADCKV-IPVBOJNNSA-N
Literature Reference PHARMAZIE 37, 257(1982) Abstract-Chemical Abstracts= 97, 163383(1982)
Melting Point 147-149C
Molecular Weight 412.351013
Optical Properties Optical Rotation= (20C) -51.3 DEG (c=0.4, CHCl3)
Synonyms GLUCOPYRANOSIDURONIC ACID, B-D-, 2-PYRIMIDINYL, METHYL ESTER, TRIACETATE
Technique KBr WAFER