Tìm theo
Prostaglandin G2
Thuốc Gốc
Small Molecule
CTHH: C20H32O6
PTK: 368.4645
A cyclic endoperoxide intermediate produced by the action of CYCLOOXYGENASE on ARACHIDONIC ACID. It is further converted by a series of specific enzymes to the series 2 prostaglandins. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H32O6
Phân tử khối
368.4645
Monoisotopic mass
368.219888756
InChI
InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChI Key
InChIKey=SGUKUZOVHSFKPH-YNNPMVKQSA-N
IUPAC Name
(5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
Traditional IUPAC Name
prostaglandin G2
SMILES
[H][C@@](CCCCC)(OO)\C=C\[C@@]1([H])[C@@]2([H])C[C@]([H])(OO2)[C@]1([H])C\C=C/CCCC(O)=O
Độ hòa tan
2.64e-02 g/l
logP
4.41
logS
-4.2
pKa (strongest acidic)
4.36
pKa (Strongest Basic)
-4.2
PSA
85.22 Å2
Refractivity
99.39 m3·mol-1
Polarizability
40.85 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03866
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5280883
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46509030
ChemSpider
http://www.chemspider.com/Chemical-Structure.4444406.html
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