Name: BETA-NICOTINAMIDE MONONUCLEOTIDE
SKU: 1094-61-7

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Basic Information

Molecular Structure:
CAS No.:	1094-61-7
Name:	BETA-NICOTINAMIDE MONONUCLEOTIDE

Formula:	C11H15 N2 O8 P
Molecular Weight:	334.222
Synonyms:	3-Carbamoyl-1-b-D-ribofuranosylpyridiniumhydroxide, 5'-phosphate, inner salt (6CI,7CI); Pyridinium,3-(aminocarbonyl)-1-(5-O-phosphono-b-D-ribofuranosyl)-, hydroxide, inner salt; Pyridinium, 3-carbamoyl-1-b-D-ribofuranosyl-, hydroxide,5'-(dihydrogen phosphate), inner salt (8CI); NMN; NMN (mononucleotide);Nicotinamide mononucleotide; Nicotinamide ribonucleoside 5'-phosphate;Nicotinamide ribonucleotide; Nicotinamide ribotide; b-D-NMN; b-NMN
Density:	g/cm³
Melting Point:	166 °C(dec.)
Boiling Point:	°Cat760mmHg
Flash Point:	°C
PSA:	176.06000
LogP:	-1.06000

Synthetic route

: 23111-00-4
3-carbamoyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium (β-D-nicotinamide riboside)

Conditions	Yield
With trimethyl phosphite; trichlorophosphate at 0℃; for 12h; Inert atmosphere;	88.27%
Stage #1: 3-carbamoyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium (β-D-nicotinamide riboside) With Sodium trimetaphosphate; sodium hydroxide In water at 30℃; for 4h; pH=9; Stage #2: With hydrogenchloride In water at 10℃; Reagent/catalyst;	68%
With nitromethane; water; trichlorophosphate

: 78687-39-5
3-carbamoyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium bromide

Conditions	Yield
With trimethyl phosphite; trichlorophosphate at -5 - 0℃; for 7h;	80%
With trimethyl phosphite; trichlorophosphate at 0℃; for 4h;	64%

: (3,4-dihydroxy-5-(3-(ethoxycarbonyl)pyridin-1-ium-1-yl)tetrahydrofuran-2-yl)methyl hydrogen phosphate

Conditions	Yield
With ammonia In acetonitrile at -5 - 5℃; for 1h;	80%

Conditions	Yield
With ethylenediaminetetraacetic acid; ammonium acetate; zirconium(IV) chloride In ethanol at 50℃; for 0.5h; pH 5;	70%
With water; zirconium(IV) chloride at 80℃; for 0.5h; Reagent/catalyst;