3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC
Thuốc Gốc
Small Molecule
CTHH: C12H16O5
PTK: 240.2524
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
240.2524
Monoisotopic mass
240.099773622
InChI
InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)
InChI Key
InChIKey=WMCQWXZMVIETAO-UHFFFAOYSA-N
IUPAC Name
2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid
Traditional IUPAC Name
2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid
SMILES
CCCC1=C(C)C(C(O)=O)=C(CCC(O)=O)O1
Độ hòa tan
2.17e-01 g/l
logP
2.3
logS
-3
pKa (strongest acidic)
3.87
pKa (Strongest Basic)
-3.4
PSA
87.74 Å2
Refractivity
61.08 m3·mol-1
Polarizability
25.26 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-2
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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