Trifluorofurnesyl Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C15H25F3O7P2
PTK: 436.2975
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H25F3O7P2
Phân tử khối
436.2975
Monoisotopic mass
436.102760793
InChI
InChI=1S/C15H25F3O7P2/c1-12(2)6-4-7-13(3)8-5-9-14(15(16,17)18)10-11-24-27(22,23)25-26(19,20)21/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,22,23)(H2,19,20,21)/b13-8+,14-10-
InChI Key
InChIKey=PXLMLAFPAPGGKK-GVCYOOEQSA-N
IUPAC Name
[({[(2Z,6E)-7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trien-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional IUPAC Name
{[(2Z,6E)-7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trien-1-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid
SMILES
CC(C)=CCC\C(C)=C\CC\C(=C\CO[P@@](=O)(O)OP(O)(O)=O)C(F)(F)F
Độ hòa tan
8.96e-02 g/l
logP
3.98
logS
-3.7
pKa (strongest acidic)
1.77
PSA
113.29 Å2
Refractivity
97.66 m3·mol-1
Polarizability
38.8 Å3
Rotatable Bond Count
12
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
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading