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Beta-Nicotinamide Mononucleotide

CAT: 0572-TRC-N407765-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N407765-25MGSize:25 mg
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CAS Number
1094-61-7
Synonyms
Pyridinium, 3-(aminocarbonyl)-1-(5-O-phosphono-β-D-ribofuranosyl)-, inner salt; 3-Carbamoyl-1-β-D-ribofuranosylpyridinium hydroxide, 5'-phosphate, inner salt (6CI,7CI); Pyridinium, 3-(aminocarbonyl)-1-(5-O-phosphono-β-D-ribofuranosyl)-, hydroxide, inner salt; Pyridinium, 3-carbamoyl-1-β-D-ribofuranosyl-, hydroxide, 5'-(dihydrogen phosphate), inner salt (8CI); NMN; NMN (mononucleotide); Nicotinamide mononucleotide; Nicotinamide ribonucleoside 5'-phosphate; Nicotinamide ribonucleotide; Nicotinamide ribotide; β-D-NMN; β-NMN; β-Nicotinamide mononucleotide
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)(O)[O-])[C@@H](O)[C@H]2O
Molecular Formula
C11 H15 N2 O8 P
Molecular Weight
334.22
InChI
InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1
Additionnal Information
IUPAC name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Shipping Conditions
Dry Pack
Storage Conditions
-20°C

Chemical Information

Nicotinamide Mononucleotide

NMN zwitterion is a nicotinamide mononucleotide. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate base of a NMN(+). It is a conjugate acid of a NMN(-).

CAS Number1094-61-7
PubChem CID14180
IUPAC Name[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular FormulaC11H15N2O8P
Molecular Weight334.22
XLogP-3.5
Topological Polar Surface Area166
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity455
SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)N
InChI
InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1
InChIKey
DAYLJWODMCOQEW-TURQNECASA-N
Chemical Structure
2D Structure
2D structure of Nicotinamide Mononucleotide
CAS: 1094-61-7
CID: 14180
Formula: C11H15N2O8P
MW: 334.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.22
XLogP3-3.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass334.05660244
Monoisotopic Mass334.05660244
Topological Polar Surface Area166 Ų
Heavy Atom Count22
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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