[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID
Thuốc Gốc
Small Molecule
CTHH: C7H15O4P
PTK: 194.1654
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C7H15O4P
Phân tử khối
194.1654
Monoisotopic mass
194.07079548
InChI
InChI=1S/C7H15O4P/c1-3-6(8)5(2)7(9)4-12(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
InChI Key
InChIKey=UXHVQAJQXZWLAW-RITPCOANSA-N
IUPAC Name
[(3R,4S)-4-hydroxy-3-methyl-2-oxohexyl]phosphinic acid
Traditional IUPAC Name
(3R,4S)-4-hydroxy-3-methyl-2-oxohexylphosphinic acid
SMILES
[H][C@](C)(C(=O)C[P@]([H])(O)=O)[C@@]([H])(O)CC
Độ hòa tan
4.05e+01 g/l
logP
-0.13
logS
-0.68
pKa (strongest acidic)
2.09
pKa (Strongest Basic)
-2.9
PSA
74.6 Å2
Refractivity
45.26 m3·mol-1
Polarizability
18.54 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
2
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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