GIBBERELLIN A3
Thuốc Gốc
Small Molecule
CTHH: C19H22O6
PTK: 346.3744
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
346.3744
Monoisotopic mass
346.141638436
InChI
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
InChI Key
InChIKey=IXORZMNAPKEEDV-OBDJNFEBSA-N
IUPAC Name
(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid
Traditional IUPAC Name
gibberellin
SMILES
[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@]([H])(C(O)=O)[C@]1([H])[C@]3(C)C(=O)O[C@]21C=C[C@]3([H])O
Độ hòa tan
1.95e+00 g/l
logP
0.35
logS
-2.2
pKa (strongest acidic)
4.16
pKa (Strongest Basic)
-0.9
PSA
104.06 Å2
Refractivity
86.42 m3·mol-1
Polarizability
34.81 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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