β-Nicotinamide Mononucleotide | CAS 1094-61-7
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β-Nicotinamide Mononucleotide · CAS 1094-61-7 · C11H15N2O8P. UNII 2KG6QX4W0V.
Identification
| CAS Registry Number | 1094-61-7 |
|---|---|
| PubChem CID | 14180 |
| Molecular formula | C11H15N2O8P |
| IUPAC name | [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate |
| UNII (FDA) | 2KG6QX4W0V |
Computed Descriptors
| Molecular Weight | 334.22 |
|---|---|
| XLogP3 | -3.5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 334.05660244 |
| Monoisotopic Mass | 334.05660244 |
| Topological Polar Surface Area | 166 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
Physical description & handling notes
- 167.13 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
- 166 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
- 165.2 Ų [M]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
- 165.2 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Regulatory Status
| GHS notification summary | 100% (2 / 2) |
|---|
GHS Hazard Classification
| GHS notification summary | 100% (2 / 2) |
|---|
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
Synonyms
1094-61-7; nicotinamide mononucleotide; Nicotinamide ribotide; 2KG6QX4W0V; Pyridinium, 3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-, inner salt; DTXSID50911152; [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate; Alpha9; ((2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl hydrogen phosphate; ELITEHEALTH; REUS NR; RefChem:854107; Mononucleotide, Nicotinamide; CHEBI:50383; DTXCID001511294; 214-136-5
Frequently Asked Questions
What are the CAS number and molecular formula of β-Nicotinamide Mononucleotide?
CAS 1094-61-7; molecular formula C11H15N2O8P; molecular weight — g/mol.
What other names is β-Nicotinamide Mononucleotide known by?
1094-61-7, nicotinamide mononucleotide, Nicotinamide ribotide, 2KG6QX4W0V, Pyridinium, 3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-, inner salt, DTXSID50911152.
Is β-Nicotinamide Mononucleotide classified as hazardous?
100% of GHS notifications report no hazard classification (2 of 2).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.