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4-pyrimidinyl 1-thio-beta-D-glucopyranosiduronic acid, methyl ester, triacetate
SpectraBase Compound ID FfsXhLcmAlL
InChI InChI=1S/C17H20N2O9S/c1-8(20)25-12-13(26-9(2)21)15(27-10(3)22)17(28-14(12)16(23)24-4)29-11-5-6-18-7-19-11/h5-7,12-15,17H,1-4H3/t12-,13-,14-,15+,17-/m0/s1
InChIKey JAMPJZNQQKGZBU-JGFGOLAASA-N
Mol Weight 428.41 g/mol
Molecular Formula C17H20N2O9S
Exact Mass 428.088951 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IxGLA3ugn1m
Name 4-PYRIMIDINYL 1-THIO-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 C17H20N2O9S
InChI InChI=1S/C17H20N2O9S/c1-8(20)25-12-13(26-9(2)21)15(27-10(3)22)17(28-14(12)16(23)24-4)29-11-5-6-18-7-19-11/h5-7,12-15,17H,1-4H3/t12-,13-,14-,15+,17-/m0/s1
InChIKey JAMPJZNQQKGZBU-JGFGOLAASA-N
Literature Reference PHARMAZIE 37, 257(1982) Abstract-Chemical Abstracts= 97, 163383(1982)
Melting Point 170-172C
Molecular Weight 428.411987
Optical Properties Optical Rotation= (20C) +21.8 DEG (c=2.3, CHCl3)
Synonyms GLUCOPYRANOSIDURONIC ACID, B-D-, 4-PYRIMIDINYL 1-THIO-, METHYL ESTER, TRIACETATE
Technique KBr WAFER