Tìm theo
Nicotinamide Mononucleotide
Thuốc Gốc
Small Molecule
CTHH: C11H16N2O8P
PTK: 335.2271
3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5'phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H16N2O8P
Phân tử khối
335.2271
Monoisotopic mass
335.06442701
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)/p+1/t7-,8-,9+,11+/m0/s1
InChI Key
InChIKey=DAYLJWODMCOQEW-WYOJIJJFSA-O
IUPAC Name
3-carbamoyl-1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1$l^{5}-pyridin-1-ylium
Traditional IUPAC Name
3-carbamoyl-1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1$l^{5}-pyridin-1-ylium
SMILES
NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O
Độ hòa tan
1.80e+00 g/l
logP
-6.2
logS
-2.3
pKa (strongest acidic)
1.21
pKa (Strongest Basic)
-2.2
PSA
163.42 Å2
Refractivity
71.71 m3·mol-1
Polarizability
29.18 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03227
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6093202
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506664
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