2-Deoxy-2,3-Dehydro-N-Acetyl-Neuraminic Acid
Thuốc Gốc
Small Molecule
CTHH: C11H17NO8
PTK: 291.2546
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
291.2546
Monoisotopic mass
291.095416525
InChI
InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8+,9+,10+/m0/s1
InChI Key
InChIKey=JINJZWSZQKHCIP-CUZACWQJSA-N
IUPAC Name
(2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2S)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Traditional IUPAC Name
(4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid
SMILES
CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@@H](O)CO)C(O)=O
Độ hòa tan
6.52e+01 g/l
logP
-3.7
logS
-0.65
pKa (strongest acidic)
3.52
pKa (Strongest Basic)
-0.41
PSA
156.55 Å2
Refractivity
64.11 m3·mol-1
Polarizability
27.09 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
8
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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