tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
Thuốc Gốc
Small Molecule
CTHH: C16H16K3O6PS
PTK: 484.628
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H16K3O6PS
Phân tử khối
484.628
Monoisotopic mass
483.931641029
InChI
InChI=1S/C16H19O6PS.3K/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14;;;/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H,20,21,22);;;/q;3*+1/p-3/t16-;;;/m1.../s1
InChI Key
InChIKey=LBNUOQAEVSXSSE-UFRNLTNDSA-K
IUPAC Name
potassium (1R)-1-[bis(potassiooxy)phosphoryl]-4-(4-phenylphenyl)butane-1-sulfonate
Traditional IUPAC Name
potassium (1R)-1-(dipotassiooxyphosphoryl)-4-(4-phenylphenyl)butane-1-sulfonate
SMILES
[H][C@@](CCCC1=CC=C(C=C1)C1=CC=CC=C1)(P(=O)(O[K])O[K])S(=O)(=O)O[K]
Độ hòa tan
1.42e+00 g/l
logP
5.07
logS
-2.5
pKa (Strongest Basic)
-7.5
PSA
78.9 Å2
Refractivity
87.36 m3·mol-1
Polarizability
41.18 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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