(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM
Thuốc Gốc
Small Molecule
CTHH: C16H38O6P3
PTK: 419.3906
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
419.3906
Monoisotopic mass
419.188123484
InChI
InChI=1S/C16H37O6P3/c1-4-5-6-7-8-9-10-11-12-13-14-23(2,3)15-16(24(17,18)19)25(20,21)22/h16H,4-15H2,1-3H3,(H3-,17,18,19,20,21,22)/p+1
InChI Key
InChIKey=QCMHKGWUOSRYCF-UHFFFAOYSA-O
IUPAC Name
[2-(dodecyldimethylphosphaniumyl)-1-phosphonoethyl]phosphonic acid
Traditional IUPAC Name
2-(dodecyldimethylphosphaniumyl)-1-phosphonoethylphosphonic acid
SMILES
CCCCCCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)(O)=O
Độ hòa tan
1.14e-01 g/l
logP
2.77
logS
-3.6
pKa (strongest acidic)
1.15
PSA
115.06 Å2
Refractivity
104.31 m3·mol-1
Polarizability
43.69 Å3
Rotatable Bond Count
15
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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