2-Propenyl-N-Acetyl-Neuramic Acid
Thuốc Gốc
Small Molecule
CTHH: C14H23NO8
PTK: 333.3343
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
333.3343
Monoisotopic mass
333.142366717
InChI
InChI=1S/C14H23NO8/c1-3-4-14(13(21)22)5-8(18)10(15-7(2)17)12(23-14)11(20)9(19)6-16/h3,8-12,16,18-20H,1,4-6H2,2H3,(H,15,17)(H,21,22)/t8-,9-,10+,11+,12+,14-/m1/s1
InChI Key
InChIKey=IUGVDRFIVSPVGO-VEWLJJDFSA-N
IUPAC Name
(2R,4R,5S,6S)-5-acetamido-4-hydroxy-2-(prop-2-en-1-yl)-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Traditional IUPAC Name
(2R,4R,5S,6S)-5-acetamido-4-hydroxy-2-(prop-2-en-1-yl)-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILES
CC(=O)N[C@H]1[C@H](O)C[C@@](CC=C)(O[C@@H]1[C@@H](O)[C@H](O)CO)C(O)=O
Độ hòa tan
7.68e+01 g/l
logP
-2.6
logS
-0.64
pKa (strongest acidic)
3.68
pKa (Strongest Basic)
-0.38
PSA
156.55 Å2
Refractivity
76.53 m3·mol-1
Polarizability
32.52 Å3
Rotatable Bond Count
7
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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