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beta-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate
SpectraBase Compound ID E2Be0rcvKKU
InChI InChI=1S/C21H28N7O17P3.Na.O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);;/q;+1;/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1
InChIKey WWVGYQBGKSXRPY-WUEGHLCSSA-M
Mol Weight 781.38905528 g/mol
Molecular Formula C21H27N7NaO18P3
Exact Mass 781.052312 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID J2j8sJDZmQE
Name beta-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate
Source of Sample Aldrich
Catalog Number 856592
CAS Registry Number 698999-85-8
Classification 6-membered aromatic heterocycles
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29N7NaO18P3
InChI InChI=1S/C21H28N7O17P3.Na.O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);;/q;+1;/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1
InChIKey WWVGYQBGKSXRPY-WUEGHLCSSA-M
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Triphosphopyridine nucleotide sodium salt hydrate
Technique Mull
Wiley ID SIAL_FTIR_1_8553