(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE
Thuốc Gốc
Small Molecule
CTHH: C11H14O3P
PTK: 225.2008
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
225.2008
Monoisotopic mass
225.068055826
InChI
InChI=1S/C11H15O3P/c1-8-2-5-11-9(6-8)3-4-10(14-11)7-15(12)13/h2,5-6,10,15H,3-4,7H2,1H3,(H,12,13)/p-1/t10-/m0/s1
InChI Key
InChIKey=QTHZTDVLJRQOGF-JTQLQIEISA-M
IUPAC Name
{[(2S)-6-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]methyl}phosphinate
Traditional IUPAC Name
[(2S)-6-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]methylphosphinate
SMILES
[H][C@@]1(C[P@@]([H])([O-])=O)CCC2=CC(C)=CC=C2O1
Độ hòa tan
6.45e-01 g/l
logP
1.6
logS
-2.6
pKa (strongest acidic)
2.19
pKa (Strongest Basic)
-4.9
PSA
49.36 Å2
Refractivity
57.51 m3·mol-1
Polarizability
22.81 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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