SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA
Thuốc Gốc
Small Molecule
CTHH: C22H30O5
PTK: 374.4706
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
374.4706
Monoisotopic mass
374.20932407
InChI
InChI=1S/C22H30O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h12,15-19H,2-11H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+,22-/m0/s1
InChI Key
InChIKey=IRQUJNVGEAJGSD-KIEDKLRZSA-N
IUPAC Name
4-{[(1S,2R,10R,11S,14R,15S)-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]oxy}-4-oxobutanoic acid
Traditional IUPAC Name
4-{[(1S,2R,10R,11S,14R,15S)-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]oxy}-4-oxobutanoic acid
SMILES
[H][C@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O
Độ hòa tan
1.08e-02 g/l
logP
3.33
logS
-4.5
pKa (strongest acidic)
4.31
pKa (Strongest Basic)
-4.7
PSA
80.67 Å2
Refractivity
100 m3·mol-1
Polarizability
41.63 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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