[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID
Thuốc Gốc
Small Molecule
CTHH: C17H30NO5P
PTK: 359.3976
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
359.3976
Monoisotopic mass
359.186159587
InChI
InChI=1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+
InChI Key
InChIKey=JAOBYUCYSAOLHS-XGGJEREUSA-N
IUPAC Name
[({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}carbamoyl)methyl]phosphonic acid
Traditional IUPAC Name
({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}carbamoyl)methylphosphonic acid
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O
Độ hòa tan
4.40e-03 g/l
logP
2.61
logS
-4.9
pKa (strongest acidic)
1.66
pKa (Strongest Basic)
-4.6
PSA
95.86 Å2
Refractivity
98.43 m3·mol-1
Polarizability
39.39 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-2
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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