Tìm theo
5-N-Acetyl-Alpha-D-Neuraminic Acid
Thuốc Gốc
Small Molecule
CTHH: C11H19NO9
PTK: 309.2699
An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H19NO9
Phân tử khối
309.2699
Monoisotopic mass
309.105981211
InChI
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m1/s1
InChI Key
InChIKey=SQVRNKJHWKZAKO-LLYCPFJPSA-N
IUPAC Name
(2S,4R,5S,6S)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Traditional IUPAC Name
O-sialic acid
SMILES
CC(=O)N[C@H]1[C@H](O)C[C@](O)(O[C@@H]1[C@@H](O)[C@@H](O)CO)C(O)=O
Độ hòa tan
2.27e+02 g/l
logP
-3.6
logS
-0.13
pKa (strongest acidic)
3
pKa (Strongest Basic)
-0.38
PSA
176.78 Å2
Refractivity
63.78 m3·mol-1
Polarizability
28.09 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
9
H Bond Donor Count
7
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01894
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=36690637
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505004
ChemSpider
http://www.chemspider.com/Chemical-Structure.882.html
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