(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID
Thuốc Gốc
Small Molecule
CTHH: C20H30O5
PTK: 350.4492
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H30O5
Phân tử khối
350.4492
Monoisotopic mass
350.20932407
InChI
InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t16-,17-,19+/m0/s1
InChI Key
InChIKey=YRTJDWROBKPZNV-DYTRGIJQSA-N
IUPAC Name
(5E)-7-[(1S,2S,3R)-3-hydroxy-5-oxo-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]hept-5-enoic acid
Traditional IUPAC Name
(5E)-7-[(1S,2S,3R)-3-hydroxy-5-oxo-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]hept-5-enoic acid
SMILES
[H][C@@]1(O)CC(=O)[C@@]([H])(C\C=C\CCCC(O)=O)[C@]1([H])\C=C\C(=O)CCCCC
Độ hòa tan
5.83e-02 g/l
logP
3.64
logS
-3.8
pKa (strongest acidic)
4.3
pKa (Strongest Basic)
-2.9
PSA
91.67 Å2
Refractivity
98.54 m3·mol-1
Polarizability
39.69 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-1
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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