β-烟酰胺单核苷酸 | 1094-61-7
β-烟酰胺单核苷酸
β-Nicotinamide Mononucleotide
1094-61-7
C11H15N2O8P
334.22
名称和标识符
MDL |
MFCD00038748 |
InChIKey |
DAYLJWODMCOQEW-TURQNECASA-N |
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 |
SMILES |
P(=O)([O-])(O[H])OC([H])([H])[C@]1([H])[C@]([H])([C@]([H])([C@]([H])([N+]2=C([H])C([H])=C([H])C(C(N([H])[H])=O)=C2[H])O1)O[H])O[H] |
BRN |
3570187 |
别名信息
- 中文别名 -
- Β-烟酰胺单核苷酸
- 烟酰胺核苷酸(Beta-NMN)
- [(2R,3S,4R,5R)-5-(3-氨基甲酰吡啶-1-鎓-1-基)-3,4-二羟基四氢呋喃-2-基]甲基磷酸氢酯
- beta-烟酰胺单核苷酸
- NMN(β-烟酰胺单核苷酸) I 级
- NMN(β-烟酰胺单核苷酸)I级
- β-烟酰胺单核苷酸[合成]
- 曲司氯铵
- 烟酰胺单核苷酸
- 烟酰胺核苷酸
- 烟酰胺核苷酸(β-NMN)
- 医药中间体
- β-烟酰胺核糖单磷酸盐
- A-烟酰胺单核苷酸
- Β-烟酰胺单核苷酸(Β-NMN)
- Β-烟酰胺单核苷酸(烟酰胺核苷酸)
- NMN(Β-烟酰胺单核苷酸
- β-烟酰胺单核苷酸(NMN)
- β-烟酰胺单核苷酸-烟酰胺单核苷酸
- 烟酰胺核苷酸 NMN
- 烟酰胺核苷酸 (NMN)
- 烟酰胺单核苷酸(NMN)
- 烟酰胺核苷酸(NMN)
- Β-烟酰胺单核苷酸 ?NMN,烟酰胺单核苷酸
- 烟酰胺核苷酸(Β-NMN)
- 烟酰胺核苷酸(BETA-NMN)
- 烟酰胺腺嘌呤单核苷酸
- 英文别名 -
- Pyridinium,3-(aminocarbonyl)-1-(5-O-phosphono-b-D-ribofuranosyl)-, inner salt
- beta-Nicotinamide Mononucleotide
- NMN
- β-nicotinamide D-ribonucleotide
- β-Nicotinamide Monon
- β-Nicotinamide Mononucleotide
- β-NM
- β-NMN
- Nicotinamide ribotide
- 3-(Aminocarbonyl)-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium
- 3-carbamoyl-1-(5-O-phosphonopentofuranosyl)pyridinium
- 3-carbamoyl-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium
- Nicotinamide mononucleotide
- Pyridinium, 3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-, inner salt
- β-Nicotinamide ribose monophosphate
- Nicotinamide-1-ium-1-β-D-ribofuranoside 5′-phosphate
- Nicotinamide ribonucleoside 5'-phosphate
- Nicotinamide ribonucleotide
- beta-D-NMN
- beta-NMN
- β-D-NMN
- NMN zwitterion
- Nicotinamide nucleotide
- Nicotimide mononucleotide
- Nicotinamide mononuclotide
- 1-[5-O-(Hydroxyphosphinato)pentofuranosyl]pyridin-1-ium-3-carboximidate
- 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-ca
- CID 138396994
- β-NicotinamideMononucleotide
- β-Nicotinamide Mononucleotide ,NMN
- beta-nicotinamide D-ribonucleotide
- nicotinamide D-ribonucleotide
- beta-Nicotinamide ribonucleotide
- 2KG6QX4W0V
- ((2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-ium-1-yl)-3,4-d
- β-Nicotinamide Mononucleotide(NMN)
- β-Nicotinamide Mononucleotide (NMN)
- BETA-NMN
- BETA-NICOTINAMIDE MONONUCLEOTIDE
- BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
- 3-(aminocarbonyl)-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium
- B-NICOTINAMIDE MONONUCLEOTIDE
- NICOTINAMIDE-1-IUM-1-BETA-D-RIBOFURANOSIDE 5'-PHOSPHATE
- NICOTINAMIDE RIBOTIDE
- 3-carbamoyl-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1λ?-pyridin-1-ylium
- Pyridinium, 3-(aminocarbonyl)-1-(5-O-phosphono-.beta.-D-ribofuranosyl)-, inner salt
- DTXSID50911152
- H11919
- beta-Nicotinamide mononucleotide
- .BETA.-NMN
- -NM
- NMN
- beta-nicotinamide ribose monophosphate
- C00455
- 1094-61-7
- AC-35057
- [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methylhydrogenphosphate
- N1123
- Q21547155
- fA-Nicotinamide Mononucleotide
- AKOS015896881
- NMN [MI]
- ((2R,3S,4R,5R)-5-(3-carbamoylpyridinium-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogen phosphate
- 3-carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-(dihydrogen phosphate) inner salt
- CS-4996
- ((2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogen phosphate
- CHEBI:16171
- CHEMBL610238
- b-NM
- AfAE'Adaggeratrade markAfA centA centasA notA em leaderA inverted exclamation mark-Nicotinamide mononucleotide
- 3-(AMINOCARBONYL)-1-(5-O-PHOSPHONO-.BETA.-D-RIBOFURANOSYL)PYRIDINIUM INNER SALT
- MFCD00038748
- -Nicotinamide mononucleotide
- .BETA.-D-NMN
- BETANMN
- CCG-267847
- J-002287
- EX-A3534
- DAYLJWODMCOQEW-TURQNECASA-N
- beta -Nicotinamide mononucleotide
- 3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium, inner salt
- SCHEMBL105618
- 3-carbamoyl-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1$l^{5}-pyridin-1-ylium
- nicotinamide mononucleotide
- 3-(Aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium inner salt
- UNII-2KG6QX4W0V
- HY-F0004
- Nicotinamidmononucleotid
- 3-carbamoyl-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1??-pyridin-1-ylium
- BDBM50366763
- ss-NMN
- AfAE'A centa' notA inverted exclamation markAfasA'A
- nicotinamide nucleotide
- AS-59655
- EINECS 214-136-5
- nicotinamide ribonucleotide
- bmse000260
- ?-Nicotinamidemononucleotide
- ss-Nicotinamide mononucleotide
物化性质
实验特性
PSA |
166.25 |
Merck |
6663 |
沸点 |
No data available |
熔点 |
No data available |
蒸气压 |
No data available |
闪点 |
No data available |
溶解度 |
DMSO (Slightly, Heated), Methanol (Slightly), Water (Slightly) |
颜色与性状 |
No data available |
最大波长(λmax) |
266(H2O)(lit.) |
计算特性
精确分子量 |
334.05665 |
氢键供体数量 |
4 |
氢键受体数量 |
8 |
可旋转化学键数量 |
5 |
同位素质量 |
334.05660244 g/mol |
重原子数量 |
22 |
复杂度 |
455 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
4 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
-3.5 |
拓扑分子极性表面积 |
166 |
分子量 |
334.22 |
参考资料
Reaxys RN |
3570187 |
Beilstein |
3570187 |
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