Lactose Sialic Acid
Các tên gọi khác (1) :
- Alpha(2,3) Sialyl Lactose
Thuốc Gốc
Small Molecule
CTHH: C23H39NO19
PTK: 633.5511
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H39NO19
Phân tử khối
633.5511
Monoisotopic mass
633.211628071
InChI
InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8-,9+,10+,11+,12+,13+,14-,15-,16+,17-,18+,19+,20-,21+,23+/m1/s1
InChI Key
InChIKey=CILYIEBUXJIHCO-ZPXYJZJDSA-N
IUPAC Name
(2S,4R,5S,6S)-2-{[(2S,3S,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Traditional IUPAC Name
lactose sialic acid
SMILES
CC(=O)N[C@H]1[C@H](O)C[C@@](O[C@H]2[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]3[C@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)(O[C@@H]1[C@@H](O)[C@H](O)CO)C(O)=O
Độ hòa tan
1.17e+02 g/l
logP
-7.1
logS
-0.73
pKa (strongest acidic)
2.84
pKa (Strongest Basic)
-3.6
PSA
335.08 Å2
Refractivity
128.61 m3·mol-1
Polarizability
58.51 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
19
H Bond Donor Count
13
Physiological Charge
-1
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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