(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid
Thuốc Gốc
Small Molecule
CTHH: C18H30O4
PTK: 310.4284
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H30O4
Phân tử khối
310.4284
Monoisotopic mass
310.214409448
InChI
InChI=1S/C18H30O4/c1-2-3-4-5-6-7-11-16(19)13-10-14-17(20)12-8-9-15-18(21)22/h6-7,10,13,16,19H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10+/t16-/m0/s1
InChI Key
InChIKey=OJFOOCZBVPQYRS-PSDPTOBYSA-N
IUPAC Name
(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid
Traditional IUPAC Name
(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid
SMILES
[H][C@](O)(C\C=C/CCCCC)\C=C\CC(=O)CCCCC(O)=O
Độ hòa tan
2.73e-02 g/l
logP
4.01
logS
-4.1
pKa (strongest acidic)
4.49
pKa (Strongest Basic)
-1.6
PSA
74.6 Å2
Refractivity
90.68 m3·mol-1
Polarizability
36.44 Å3
Rotatable Bond Count
14
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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