9-Amino-2-Deoxy-2,3-Dehydro-N-Acetyl-Neuraminic Acid
Thuốc Gốc
Small Molecule
CTHH: C11H18N2O7
PTK: 290.2698
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
290.2698
Monoisotopic mass
290.11140094
InChI
InChI=1S/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6-,8+,9+,10+/m0/s1
InChI Key
InChIKey=VJTPBNUXDULDQD-CUZACWQJSA-N
IUPAC Name
(2R,3R,4S)-2-[(1R,2S)-3-amino-1,2-dihydroxypropyl]-3-acetamido-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Traditional IUPAC Name
(4S,5R,6R)-6-[(1R,2S)-3-amino-1,2-dihydroxypropyl]-5-acetamido-4-hydroxy-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)CN)C(O)=O
Độ hòa tan
4.76e+01 g/l
logP
-6.1
logS
-0.79
pKa (strongest acidic)
3.36
pKa (Strongest Basic)
9.21
PSA
162.34 Å2
Refractivity
65.77 m3·mol-1
Polarizability
27.52 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
8
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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