SR12813
Thuốc Gốc
Small Molecule
CAS: 126411-39-0
CTHH: C24H42O7P2
PTK: 504.5336
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H42O7P2
Phân tử khối
504.5336
Monoisotopic mass
504.240576722
InChI
InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3
InChI Key
InChIKey=YQLJDECYQDRSBI-UHFFFAOYSA-N
IUPAC Name
diethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(diethoxyphosphoryl)ethenyl]phosphonate
Traditional IUPAC Name
diethyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(diethoxyphosphoryl)ethenylphosphonate
SMILES
CCOP(=O)(OCC)C(=CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC
Độ hòa tan
5.81e-02 g/l
logP
6.75
logS
-3.9
pKa (strongest acidic)
10.42
pKa (Strongest Basic)
-5.1
PSA
91.29 Å2
Refractivity
133.2 m3·mol-1
Polarizability
53.62 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
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