Nicotinic acid mononucleotide

CAT: 0024-sc-215565ASize: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-215565ASize:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

321-02-8

Chemical Information

Nicotinate mononucleotide

nicotinate beta-D-ribonucleotide is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

CAS Number	321-02-8
PubChem CID	121991
IUPAC Name	1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate
Molecular Formula	C11H14NO9P
Molecular Weight	335.20
XLogP	-2.1
Topological Polar Surface Area	160
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	449

SMILES

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)[O-]

InChI

InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/t7-,8-,9-,10-/m1/s1

InChIKey

JOUIQRNQJGXQDC-ZYUZMQFOSA-N

Chemical Structure

2D Structure

CAS: 321-02-8

CID: 121991

Formula: C11H14NO9P

MW: 335.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	335.20
XLogP3	-2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	335.04061802
Monoisotopic Mass	335.04061802
Topological Polar Surface Area	160 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	449
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19202641-01	Nicotinic acid mononucleotide
018118-01	β-Nicotinic Acid Mononucleotide
A19173-25	Nicotinic acid mononucleotide 25mg
A19173-10	Nicotinic acid mononucleotide 10mg
A19173-5	Nicotinic acid mononucleotide 5mg
HY-128700A-01	Nicotinic acid mononucleotide (triethylamine)
TRC-N429390-10MG	Beta-Nicotinic Acid Mononucleotide
A19173-100	Nicotinic acid mononucleotide 100mg
A19173-50	Nicotinic acid mononucleotide 50mg
A19173-1	Nicotinic acid mononucleotide 1mg